SCHEMBL8960130

SCHEMBL8960130

CC(C)(C=S)Oc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL3019809 0.81 ACACB (0.44) ACACBGABRA1GABRG2GABRB3GABRA5
SCHEMBL3485737 0.76 ACACB (0.43) ACACBGABRA1GABRG2GABRB3GABRA5
SCHEMBL8983744 0.74 ACACB (0.32) ACACBGABRA1GABRG2GABRB3GABRA5
SCHEMBL3846192 0.73 GRM5 (0.39) ACACBGABRA1GABRG2GABRB3GABRA5
SCHEMBL19297787 0.73 PREP (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306384 0.72 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL673162 0.71 APP (0.55) ACACB
SCHEMBL1306505 0.70 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6517721 0.70 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28735922 0.70 APP (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516904-A SKIN AND IMMUNE DISORDERS; ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS ALLERGAN, INC. (US) 1996-05-14 US disclosed
EP-0436398-B1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN INC (US) 1996-01-31 EP disclosed
US-5414007-A Skin disorders ALLERGAN, INC. (US) 1995-05-09 US disclosed
US-5264456-A Skin disorders, anticarcinogenic agents, antiarthritic agents, immunology or wound healing agents ALLERGAN, INC. (US) 1993-11-23 US disclosed
US-5175185-A Antiacne agents ALLERGAN, INC. (US) 1992-12-29 US disclosed
EP-0436398-A1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN, INC. (US) 1991-07-10 EP disclosed
US-5013744-A Skin disorders ALLERGAN, INC. (US) 1991-05-07 US disclosed