SCHEMBL4603030

SCHEMBL4603030

CC(C)c1cc(CCCc2cc(Br)c(O)c(C(C)C)c2)cc(Br)c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.53
GABRB1 P18505 4/20 0.53
GABRB2 P47870 3/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRA6 Q16445 1/20 0.53
GSR P00390 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 1/20 0.38
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
TRPA1 O75762 1/20 0.38
DHFR P00374 1/20 0.35

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
SCHEMBL27632207 0.87 GABRA1 (0.47) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL2420912 0.80 CYP3A4 (0.50) GABRA1GABRB1GABRB2GABRA2CA1
SCHEMBL5077378 0.78 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL200138 0.77 GABRA1 (0.60) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL6417176 0.76 GABRA1 (0.58) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9181982 0.76 GABRA1 (0.54) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL5599293 0.75 PTGS2 (0.44) CA1CA2MAPT
SCHEMBL4594369 0.75 GSR (0.55) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9183829 0.74 GABRA1 (0.53) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL9181258 0.74 GABRA1 (0.53) 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
EP-1751211-B1 METHOD FOR PREPARING A POLYCARBONATE OLIGOMER MIXTURE AT LOW TEMPERATURE FOR MANUFACTURING POLYCARBONATE GEN ELECTRIC (US) 2008-04-30 EP disclosed