SCHEMBL4610784

SCHEMBL4610784

Cc1cc(=O)oc2cc(OP(=O)([O-])Oc3ccc4c(C)cc(=O)oc4c3)ccc12.[Na+]

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.57
THRB known ✓ P10828 1/20 0.52
CA12 known ✓ O43570 2/20 0.51
CA1 known ✓ P00915 1/20 0.51
ALDH1A1 P00352 13/20 0.64
KDM4E B2RXH2 12/20 0.64
HSD17B10 Q99714 7/20 0.64
HPGD P15428 6/20 0.64
GAA P10253 9/20 0.58
GLA P06280 8/20 0.58
STS P08842 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
ALDH2 P05091 2/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AR P10275 1/20 0.54
KMT2A Q03164 5/20 0.53
NPC1 O15118 2/20 0.53
CASP3 P42574 2/20 0.53
RAB9A P51151 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL380623 0.93 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
Silver SCHEMBL7614148 0.91 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDGAA
Lithium Ion SCHEMBL1871467 0.91 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL15924831 0.89 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL20703812 0.87 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL140039 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL4610846 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29391759 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL7058731 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL6131324 0.83 KDM4E (0.51) ALDH1A1KDM4EHSD17B10HPGDGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951279-B1 METHOD AND CULTURE DEVICE FOR DETECTING YEASTS AND MOLDS 3M INNOVATIVE PROPERTIES CO (US) 2020-12-09 EP disclosed
EP-3553163-A1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M Innovative Properties Company (US) 2019-10-16 EP disclosed
EP-3114209-B1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M INNOVATIVE PROPERTIES CO (US) 2019-06-12 EP disclosed
US-9879214-B2 Method and culture device for detecting yeasts and molds 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-30 US disclosed
US-20170073629-A1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-03-16 US disclosed
US-20160032231-A1 METHOD AND CULTURE DEVICE FOR DETECTING YEASTS AND MOLDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-02-04 US disclosed
US-8921067-B2 Method and culture device for detecting yeasts and molds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-12-30 US disclosed
US-20140220610-A1 METHOD AND CULTURE DEVICE FOR DETECTING YEASTS AND MOLDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-07 US disclosed
EP-0870054-B1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS BIOCONTROL SYSTEMS INC (US) 2008-07-30 EP disclosed
US-6472167-B1 MEASURE VIABLE BACTERIA AS A FUNCTION OF THE ACTIVITIES OF BACTERIAL ENZYMES, PHOSPHATASES, GLUCOSIDASES, AND AMINOPEPTIDASES; PRESENCE DETECTED BY A FLUORESCENT SIGNAL BIOCONTROL SYSTEMS, INC. 2002-10-29 US disclosed
US-6387650-B1 INNOCULATING AND INCUBATING TEST SAMPLE ON GROWTH MEDIUM HAVING ENZYME SUBSTRATES FOR PHOSPHATASE, GLYCOSIDASE, AND PEPTIDASE, THEN DETECTING OR MEASURING SIGNAL PRODUCED BY THE HYDROLYSIS OF THE SUBSTRATES BIOCONTROL SYSTEMS, INC. 2002-05-14 US disclosed