SCHEMBL10345446

SCHEMBL10345446

COc1ccc(OCCSc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 7/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL10345935 0.82 ALDH1A3 (0.45) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9770356 0.81 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL10346037 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL10345911 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL9768860 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL10345795 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL5824912 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL10598373 0.80 RAB9A (0.65) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL5171995 0.79 ALDH1A3 (0.42) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL10345794 0.77 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2TP53NPSR1

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