SCHEMBL9870926

SCHEMBL9870926

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 6/20 0.43
ALDH1A1 P00352 2/20 0.43
TBXAS1 P24557 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR55 Q9Y2T6 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9836067 0.91 TBXAS1 (0.50) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9836834 0.89 ALDH1A1 (0.44) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9837267 0.80 TBXAS1 (0.43) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9835043 0.79 TBXAS1 (0.52) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9834608 0.78 RAB9A (0.36) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9837178 0.74 TBXAS1 (0.65) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9835750 0.73 DRD2 (0.49) ALDH1A1KDM4ELMNA
SCHEMBL9835495 0.71 TBXAS1 (0.80) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL20769680 0.70 NPC1 (0.52) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9835650 0.70 TBXAS1 (0.52) RAB9AKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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