SCHEMBL8517831

SCHEMBL8517831

CCCCc1c(O)c(O)cc2ccccc12.Cc1c(O)c(O)c(C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
NCEH1 Q6PIU2 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
ALOX5 P09917 3/20 0.39
GAA P10253 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BCL2A1 Q16548 1/20 0.39
CFTR P13569 1/20 0.38

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
SCHEMBL6545326 0.94 HPGD (0.47) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL10933274 0.89 ALOX5 (0.49) HPGDKDM4EALDH1A1HSD17B10TRPM4
SCHEMBL11024895 0.84 NCEH1 (0.45) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL30689889 0.83 HPGD (0.50) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL10976271 0.83 HPGD (0.50) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL27814439 0.80 KDM4E (0.46) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL11221674 0.78 MAPT (0.47) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL10715607 0.77 TRPM4 (0.50) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL7915017 0.77 HTR2A (0.52) HPGDKDM4EALDH1A1HSD17B10NCEH1
SCHEMBL11126792 0.76 KDM4E (0.47) HPGDKDM4EALDH1A1HSD17B10HTT

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
EP-0720630-B1 EPOXY RESIN COMPOSITION SHELL INT RESEARCH (NL) 1999-03-17 EP disclosed
EP-0720630-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-07-10 EP disclosed
WO-1995008584-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-03-30 WO disclosed