SCHEMBL9181982

SCHEMBL9181982

Cc1cc(CCCCc2cc(C)c(O)c(C(C)C)c2)cc(C(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRB1 P18505 4/20 0.54
GABRB2 P47870 3/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRA4 P48169 1/20 0.54
GABRA6 Q16445 1/20 0.54
GSR P00390 1/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
MAPT P10636 1/20 0.39
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9181258 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9176703 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9177990 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9182118 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9176771 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9183829 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9181950 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9177934 0.98 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL11799626 0.93 PTGS2 (0.50) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL11795599 0.91 GABRA1 (0.50) GABRA1GABRB1GABRB2GABRA5GABRA3

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-5473003-A A styrene copolymer blend comprising a stabilizer for heat, oxidation, chemical and actinic radiation resistance CIBA-GEIGY CORPORATION (US) 1995-12-05 US disclosed