SCHEMBL6689608

SCHEMBL6689608

COc1cccc(C(=O)[O-])c1OC.[Na+]

nearest known ligand 0.51

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
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.48
CNR2 P34972 1/20 0.48
NFE2L2 Q16236 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47

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
Zinc Ion SCHEMBL9191983 0.96 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL28700757 0.83 KDM4E (0.47) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL2514158 0.82 CTSD (0.56) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3762150 0.82 RAB9A (0.55) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL28837855 0.81 CA12 (0.46) HTT
SCHEMBL730839 0.81 KDM4E (0.53) NPC1SMN1; SMN2TP53HPGDPOLB
SCHEMBL6964175 0.81 RAB9A (0.58) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL29603325 0.81 MAPT (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL152563 0.81 MAPT (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL341046 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO claimed
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO disclosed
US-20040248029-A1 Lithographic printing plate system and method for manufacturing the plate system DIGITAL MIND S.R.L. 2004-12-09 US disclosed