SCHEMBL9817834

SCHEMBL9817834

CCCC(C(=O)OCC)c1ccc(C#Cc2cc3c(cc2SC)OCCC3(SC)SC)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 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
SCHEMBL9817790 0.84 MAPT (0.38)
SCHEMBL9817832 0.84 RXRA (0.36) ACACB
SCHEMBL9817718 0.83 FDFT1 (0.38) ACACB
SCHEMBL9817708 0.83 RXRA (0.35) ACACB
SCHEMBL9817789 0.81 RXRA (0.35) ACACB
SCHEMBL9817801 0.81 RXRA (0.34)
SCHEMBL9817739 0.80 RXRA (0.38) ACACB
SCHEMBL9817783 0.80 RXRA (0.34)
SCHEMBL27313907 0.79 RXRA (0.38) ACACB
SCHEMBL9817661 0.79 ACACB (0.39) ACACB

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
EP-0290130-B1 ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1991-11-06 EP disclosed
US-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 US disclosed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 EP disclosed