SCHEMBL9808095

SCHEMBL9808095

Cc1ccc(SCCCSc2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 5/20 0.52
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 6/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 1/20 0.46
SLC2A1 P11166 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5172043 0.95 POLB (0.56) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL28435021 0.92 POLB (0.54) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL5169781 0.92 POLB (0.54) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL5168911 0.89 NPC1 (0.65) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL424971 0.88 HPGD (0.56) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL20040862 0.86 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL7595139 0.86 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL5683064 0.86 HPGD (0.54) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL4740002 0.86 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL5825613 0.86 CA2 (0.55) NPC1RAB9AALDH1A1MAPTPOLB

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
CN-111471117-A Oligosaccharide composition and preparation method thereof 卡德纳生物有限公司 2020-07-31 CN disclosed
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed