SCHEMBL9835663

SCHEMBL9835663

COC(=O)C1=Cc2sc(CO)cc2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
ATM Q13315 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 10/20 0.32
CA9 Q16790 10/20 0.32
CA2 P00918 3/20 0.32
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL10775514 0.86 TBXAS1 (0.40) TBXAS1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL10775474 0.78 TBXAS1 (0.40) TBXAS1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL9836779 0.78 TBXAS1 (0.76) TBXAS1KDM4ENPC1
SCHEMBL9835838 0.78 KDM4E (0.35) TBXAS1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL9836723 0.78 KDM4E (0.39) TBXAS1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL9835184 0.77 TBXAS1 (0.61) TBXAS1KDM4EALDH1A1MAPK1GAA
SCHEMBL9836524 0.77 TBXAS1 (0.43) TBXAS1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL9836618 0.73 ALDH1A1 (0.45) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL7595087 0.71 CNR2 (0.38) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL9835177 0.69 TBXAS1 (0.53) TBXAS1KDM4EL3MBTL1ALDH1A1GAA

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