SCHEMBL9835650

SCHEMBL9835650

CS(=O)(=O)OCC1CCc2cc(C(=O)O)sc2C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.52
ALDH1A1 P00352 4/20 0.43
DAO P14920 1/20 0.43
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FOLR1 P15328 1/20 0.33
GART P22102 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9837267 0.91 TBXAS1 (0.43) TBXAS1ALDH1A1KDM4EGLARAB9A
SCHEMBL9835043 0.90 TBXAS1 (0.52) TBXAS1ALDH1A1DAORAB9ANPC1
SCHEMBL9836834 0.81 ALDH1A1 (0.44) TBXAS1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL9834147 0.79 TBXAS1 (0.33) TBXAS1
SCHEMBL9836067 0.79 TBXAS1 (0.50) TBXAS1ALDH1A1DAORAB9ANPC1
SCHEMBL7618716 0.78 TBXAS1 (0.52) TBXAS1ALDH1A1DAORAB9ANPC1
SCHEMBL9835187 0.74 DRD2 (0.50) KMT2A
SCHEMBL1397374 0.73 ALDH1A1 (0.56) TBXAS1ALDH1A1DAOKDM4ERAB9A
SCHEMBL9870926 0.70 RAB9A (0.43) TBXAS1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL3347584 0.70 TBXAS1 (0.59) TBXAS1ALDH1A1DAOKDM4ERAB9A

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 1 patent. 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