SCHEMBL9836663

SCHEMBL9836663

COC(=O)C1=Cc2cc(C=O)sc2CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TBXAS1 P24557 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 10/20 0.33
CA9 Q16790 10/20 0.33
CA2 P00918 4/20 0.33
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL9835738 0.85 TBXAS1 (0.33) KDM4EMAPK1TBXAS1NPC1HPGD
SCHEMBL9834823 0.80 TBXAS1 (0.40) KDM4EMAPK1ALDH1A1TBXAS1NPC1
SCHEMBL9836524 0.78 TBXAS1 (0.43) KDM4EMAPK1TBXAS1NPC1HPGD
SCHEMBL9834712 0.78 PNMT (0.42) KDM4EMAPK1ALDH1A1MEN1MAPT
SCHEMBL9835838 0.77 KDM4E (0.35) KDM4EMAPK1ALDH1A1MEN1CYP1A2
SCHEMBL9835986 0.76 TBXAS1 (0.46) KDM4EMAPK1TBXAS1NPC1HPGD
SCHEMBL9836665 0.75 KDM4E (0.42) KDM4EMAPK1ALDH1A1MAPTTBXAS1
SCHEMBL9871091 0.74 TBXAS1 (0.36) KDM4EMAPK1ALDH1A1TBXAS1NPC1
SCHEMBL9837432 0.73 TBXAS1 (0.36) KDM4EMAPK1ALDH1A1TBXAS1NPC1
SCHEMBL10777645 0.72 TBXAS1 (0.39) KDM4EMAPK1ALDH1A1MEN1CYP1A2

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