SCHEMBL10054534

SCHEMBL10054534

CCCc1ccc(O)c(-c2cc(CC(C)C)ccc2OC)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
GABRA1 P14867 7/20 0.59
GABRB2 P47870 7/20 0.59
ALOX5 P09917 2/20 0.59
ALOX15 P16050 3/20 0.49
ALOX12 P18054 3/20 0.49
FOS P01100 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.49
NR3C1 P04150 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49

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
SCHEMBL8940661 0.90 CNR1 (0.73) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL8940800 0.81 GABRA1 (0.60) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL15055469 0.81 GABRA1 (0.58) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL8940890 0.79 GABRA1 (0.57) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL13818321 0.79 GABRA1 (0.68) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL15004288 0.79 GABRA1 (0.51) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL29380189 0.77 CNR1 (1.00) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL662610 0.77 CNR1 (1.00) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL20821072 0.76 ALOX15 (0.80) GABRA1GABRB2ALOX15ALOX12FOS
SCHEMBL11571527 0.76 FOS (0.80) GABRA1GABRB2ALOX5ALOX15ALOX12

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-20120083008-A1 Methods for obtaining molecules with reduced immunogenicity MARSHALL CHRISTOPHER P (US) 2012-04-05 US disclosed