SCHEMBL7591289

SCHEMBL7591289

O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.[Na+].[Na+]

nearest known ligand 0.65

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
CA1 known ✓ P00915 9/20 0.52
CA2 known ✓ P00918 9/20 0.52
CA12 known ✓ O43570 3/20 0.47
USP2 O75604 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 2/20 0.65
ATM Q13315 1/20 0.65
PLEC Q15149 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.63
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
CA9 Q16790 11/20 0.52
DNASE1L3 Q13609 1/20 0.49
PRMT1 Q99873 1/20 0.49
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29594855 1.00 USP2 (0.65) USP2MEN1KMT2APOLBATM
Fluorescein Sodium SCHEMBL29355465 0.89 USP2 (0.50) USP2MEN1KMT2APOLBATM
Fluorescein Sodium SCHEMBL264060 0.89 USP2 (0.50) USP2MEN1KMT2APOLBATM
Fluorescein Sodium SCHEMBL29364968 0.89 USP2 (0.50) USP2MEN1KMT2APOLBATM
SCHEMBL29591827 0.88 USP2 (0.76) USP2MEN1KMT2APOLBATM
SCHEMBL107875 0.88 USP2 (0.76) USP2MEN1KMT2APOLBATM
SCHEMBL29781098 0.88 USP2 (0.76) USP2MEN1KMT2APOLBATM
SCHEMBL7591292 0.87 USP2 (0.74) USP2MEN1KMT2APOLBATM
SCHEMBL14417443 0.87 USP2 (0.67) USP2MEN1KMT2APOLBATM
SCHEMBL8451224 0.87 USP2 (0.74) USP2MEN1KMT2APOLBATM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017344-B1 LIQUID MANAGEMENT FILM FOR ABSORBENT ARTICLES MINNESOTA MINING & MFG (US) 2002-10-30 EP disclosed
US-6372954-B1 MEMBER COMPRISING FILM OF IMPERMEABLE MATERIAL HAVING AT LEAST ONE MICROSTRUCTURE-BEARING HYDROPHILIC SURFACE, WITH PLURALITY OF LATERALLY SPACED APART V-SHAPED GROOVES, THAT PROMOTES DIRECTIONAL SPREADING OF LIQUIDS 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 US disclosed
EP-1017344-A1 LIQUID MANAGEMENT FILM FOR ABSORBENT ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-07-12 EP disclosed
EP-0617604-B1 LIQUID MANAGEMENT MEMBER FOR ABSORBENT ARTICLES MINNESOTA MINING & MFG (US) 1999-07-21 EP disclosed
WO-1999009923-A1 LIQUID MANAGEMENT FILM FOR ABSORBENT ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-04 WO disclosed
US-5728446-A GROOVES MINNESOTA MINING AND MANUFACTURING COMPANY 1998-03-17 US disclosed
US-5514120-A Liquid management member for absorbent articles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-07 US disclosed
EP-0617604-A1 LIQUID MANAGEMENT MEMBER FOR ABSORBENT ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-05 EP disclosed
WO-1993011727-A1 LIQUID MANAGEMENT MEMBER FOR ABSORBENT ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-06-24 WO disclosed