SCHEMBL8726528

SCHEMBL8726528

CCOc1ccc(C(=O)OO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.69
NPC1 O15118 2/20 0.59
PLK1 P53350 1/20 0.59
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
SCN1A P35498 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN3A Q9NY46 1/20 0.57
NQO1 P15559 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KMT2A Q03164 2/20 0.56
PLA2G4B P0C869 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.54
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
MAOB P27338 1/20 0.54
PRSS1 P07477 1/20 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
SCHEMBL1979910 0.86 PARP10 (0.66) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL6055346 0.86 PARP10 (0.66) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL2455357 0.84 KMT2A (0.73) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL204175 0.84 MAPT (0.75) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL76052 0.84 ALDH1A1 (0.66) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL9905987 0.84 KMT2A (0.73) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL11174565 0.82 PARP10 (0.61) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL11064827 0.82 ALDH1A1 (0.73) PARP10NPC1PLK1ALDH1A1MAPT
SCHEMBL23776 0.82 TP53 (0.68) NPC1MAPTLMNAKMT2APLA2G4B
SCHEMBL19281449 0.82 CCNC (0.60) PARP10NPC1PLK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808114-A EPOXIDATION; REMOVING AROMATIC CARBOXYLIC ACID; CATALYTIC HYDROGENATION TO ALDEHYDE; OXIDATION; CIRCULATION; REUSE; FREE OF HYDROGEN PEROXIDE BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
EP-0811003-B1 PROCESS FOR PRODUCING EPOXIDES USING AROMATIC PEROXYCARBOXYLIC ACIDS BASF AG (DE) 1998-09-02 EP disclosed
EP-0811003-A1 PROCESS FOR PRODUCING EPOXIDES USING AROMATIC PEROXYCARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
WO-1996026198-A1 PROCESS FOR PRODUCING EPOXIDES USING AROMATIC PEROXYCARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed