SCHEMBL9836067

SCHEMBL9836067

CS(=O)(=O)OCCC1CCc2sc(C(=O)O)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.50
RAB9A P51151 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DAO P14920 1/20 0.42
NPC1 O15118 6/20 0.40
GPR55 Q9Y2T6 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9870926 0.91 RAB9A (0.43) TBXAS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9835043 0.88 TBXAS1 (0.52) TBXAS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9834608 0.80 RAB9A (0.36) TBXAS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9836834 0.79 ALDH1A1 (0.44) TBXAS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9835650 0.79 TBXAS1 (0.52) TBXAS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3347584 0.79 TBXAS1 (0.59) TBXAS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9835750 0.75 DRD2 (0.49) ALDH1A1LMNA
SCHEMBL3348661 0.71 ALDH1A1 (0.69) RAB9AMEN1KMT2AALDH1A1DAO
SCHEMBL9837267 0.70 TBXAS1 (0.43) TBXAS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9835624 0.70 TBXAS1 (0.80) TBXAS1ALDH1A1DAONPC1

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