SCHEMBL9765060

SCHEMBL9765060

C[Si](C)(C)C#Cc1ccc2c(c1)CCC(C1CCc3ccccc3S1)S2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
FFAR1 O14842 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
SCHEMBL8765441 0.71 SIGMAR1 (0.35) SIGMAR1
SCHEMBL8561841 0.70 PTGS1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9031233 0.69 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9014691 0.67 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6847079 0.66 RAB9A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7085122 0.65 GRM5 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9006898 0.64 RARA (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4523627 0.64 CYP1A2 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6494578 0.63 CYP11B1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9024091 0.63 GABRA1 (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed