SCHEMBL9835986

SCHEMBL9835986

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.46
CA12 O43570 13/20 0.37
CA9 Q16790 13/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CA2 P00918 4/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
XDH P47989 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9836524 0.89 TBXAS1 (0.43) TBXAS1CA12CA9CA2CA1
SCHEMBL9834683 0.84 TBXAS1 (0.40) TBXAS1CA12CA9CA2HSD17B10
SCHEMBL9834823 0.84 TBXAS1 (0.40) TBXAS1CA12CA9CA2CA1
SCHEMBL10777645 0.82 TBXAS1 (0.39) TBXAS1CA12CA9CA2CA1
SCHEMBL9835519 0.79 TBXAS1 (0.77) TBXAS1KDM4E
SCHEMBL9834712 0.77 PNMT (0.42) TBXAS1CA12CA9CA2CA1
SCHEMBL9835676 0.76 TBXAS1 (0.76) TBXAS1KDM4E
SCHEMBL10777505 0.76 TBXAS1 (0.40) TBXAS1KDM4ESMN1; SMN2
SCHEMBL9836663 0.76 KDM4E (0.36) TBXAS1CA12CA9CA2CA1
SCHEMBL9836665 0.74 KDM4E (0.42) TBXAS1CA12CA9CA2XDH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1023013-C Process for preparing thianaphthene derivatives SANKYO CO (JP) 1993-12-08 CN disclosed
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
CN-87102672-A Thioindol derivatives, process for their preparation and their use 1987-11-04 CN disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed