SCHEMBL7761222

SCHEMBL7761222

CCC(C)c1cc(Cl)cc(C(C)(CC(c2cc(Cl)cc(C(C)C)c2O)c2cc(Cl)cc(C(C)C)c2O)c2cc(Cl)cc(C(C)CC)c2O)c1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.49
GABRB1 P18505 3/20 0.49
GABRB2 P47870 1/20 0.35
RORC P51449 1/20 0.35
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.31
GSR P00390 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
SCHEMBL2168125 0.79 RORC (0.46) GABRA1GABRB1RORCTSHRCYP1A2
SCHEMBL7761220 0.77 GABRA1 (0.45) GABRA1GABRB1RORCTSHRCYP2C9
SCHEMBL3400325 0.77 GABRA1 (0.61) GABRA1GABRB1GABRB2RORCTSHR
SCHEMBL11682443 0.72 GABRA1 (0.55) GABRA1GABRB1GABRB2RORCTSHR
SCHEMBL20243834 0.72 GABRA1 (0.67) GABRA1GABRB1GABRB2TSHRCYP1A2
SCHEMBL11682602 0.72 GABRA1 (0.67) GABRA1GABRB1GABRB2TSHRCYP1A2
SCHEMBL4714270 0.70 GABRA1 (1.00) GABRA1GABRB1GABRB2TSHRCYP1A2
SCHEMBL9797399 0.69 GABRA1 (0.50) GABRA1GABRB1RORCTSHRCYP1A2
SCHEMBL13779538 0.69 CA1 (0.71) GABRA1GABRB1GABRB2RORCTSHR
SCHEMBL4549116 0.67 CA1 (0.50) GABRA1GABRB1GABRB2RORCTSHR

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
WO-2001070189-A1 METHOD AND COMPOSITION FOR SKIN LIGHTENING APPLYING CARBOXYLIC ACIDS UNILEVER PLC (GB) 2001-09-27 WO disclosed