SCHEMBL10345795

SCHEMBL10345795

CCOc1ccc(SCCOc2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MAPK1 P28482 3/20 0.58
TP53 P04637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NQO1 P15559 1/20 0.50
MAPT P10636 8/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 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
SCHEMBL10345911 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL10346037 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL10345813 0.88 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL9770356 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL9768860 0.86 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL10345823 0.86 LMNA (0.55) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL10346021 0.85 NQO1 (0.64) NPC1SMN1; SMN2NPSR1ALDH1A1MEN1
SCHEMBL5824912 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL10598373 0.84 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL9344644 0.81 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MAPK1TP53

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-0222343-B1 RECORDING MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1990-04-11 EP disclosed
US-4792542-A CONTAINING AN AROMATIC SULFIDE FUJI PHOTO FILM CO., LTD. (JP) 1988-12-20 US disclosed
EP-0222343-A2 Recording material FUJI PHOTO FILM CO., LTD. (JP) 1987-05-20 EP disclosed