SCHEMBL9871091

SCHEMBL9871091

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.36
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 9/20 0.32
CA9 Q16790 9/20 0.32
CA2 P00918 3/20 0.31
PTPN1 P18031 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9837432 0.86 TBXAS1 (0.36) TBXAS1HPGDMAPK1KDM4ENPC1
SCHEMBL9836560 0.79 DHODH (0.34) TBXAS1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL9836524 0.78 TBXAS1 (0.43) TBXAS1HPGDMAPK1KDM4ENPC1
SCHEMBL9834712 0.75 PNMT (0.42) TBXAS1HPGDMAPK1KDM4ENPC1
SCHEMBL9835661 0.75 TBXAS1 (0.46) TBXAS1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL9836663 0.74 KDM4E (0.36) TBXAS1HPGDMAPK1KDM4ENPC1
SCHEMBL9836635 0.73 TBXAS1 (0.53) TBXAS1
SCHEMBL9835986 0.73 TBXAS1 (0.46) TBXAS1HPGDMAPK1KDM4ENPC1
SCHEMBL9836665 0.72 KDM4E (0.42) TBXAS1HPGDMAPK1KDM4ENPC1
SCHEMBL9834823 0.71 TBXAS1 (0.40) TBXAS1HPGDMAPK1KDM4ENPC1

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
CN-1023013-C Process for preparing thianaphthene derivatives SANKYO CO (JP) 1993-12-08 CN 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