SCHEMBL9836834

SCHEMBL9836834

COC(=O)c1cc2c(s1)CCC(COS(C)(=O)=O)C2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 6/20 0.44
TBXAS1 P24557 1/20 0.43
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9837267 0.91 TBXAS1 (0.43) ALDH1A1NPC1TBXAS1RAB9AKDM4E
SCHEMBL9835043 0.91 TBXAS1 (0.52) ALDH1A1NPC1TBXAS1RAB9AKMT2A
SCHEMBL9870926 0.89 RAB9A (0.43) ALDH1A1NPC1TBXAS1RAB9AKDM4E
SCHEMBL9835650 0.81 TBXAS1 (0.52) ALDH1A1NPC1TBXAS1RAB9AKDM4E
SCHEMBL9836067 0.79 TBXAS1 (0.50) ALDH1A1NPC1TBXAS1RAB9AKMT2A
SCHEMBL9836586 0.77 RAB9A (0.35) ALDH1A1NPC1TBXAS1RAB9AKDM4E
SCHEMBL9835495 0.73 TBXAS1 (0.80) ALDH1A1NPC1TBXAS1RAB9AKMT2A
SCHEMBL9837021 0.72 DRD2 (0.51) KMT2A
SCHEMBL20769680 0.72 NPC1 (0.52) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL9837178 0.71 TBXAS1 (0.65) ALDH1A1NPC1TBXAS1RAB9AKMT2A

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
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed