SCHEMBL8535930

SCHEMBL8535930

Cc1c(O)c(Cc2cccc(SC3CCCCC3)c2)c(-c2ccc(OCc3cccnc3)cc2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VCP P55072 17/20 0.39
GPR132 Q9UNW8 1/20 0.36
ACHE P22303 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL8535928 0.79 PDCD1 (0.34) VCP
SCHEMBL8540378 0.69 ACHE (0.48) ACHE
SCHEMBL8537154 0.67 TYK2 (0.49) GPR132GPR119
SCHEMBL6594253 0.67 ALDH1A1 (0.43) ACHE
SCHEMBL6957976 0.67 P2RY12 (0.35) VCP
SCHEMBL6591994 0.66 ACHE (0.48) ACHE
SCHEMBL6588945 0.66 ACHE (0.45) GPR132ACHE
SCHEMBL6955480 0.66 GPR132 (0.42) GPR132GPR119
SCHEMBL6955461 0.65 GPR132 (0.40) GPR132GPR119
SCHEMBL6966499 0.64 TERT (0.38) GPR132GPR119

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed