SCHEMBL27733760

SCHEMBL27733760

CC(C)c1ccccc1-c1nc(C(=O)O)cn1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.40
GABRB2 P47870 4/20 0.40
CNR1 P21554 12/20 0.39
CNR2 P34972 3/20 0.37
PPARA Q07869 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3587054 0.85 GABRA2 (0.58) GABRA2GABRB2
SCHEMBL3592562 0.82 CNR1 (0.53) CNR1CNR2MEN1KMT2A
SCHEMBL3583597 0.78 RXRA (0.46)
SCHEMBL19365969 0.78 BRD4 (0.40) PPARAMCL1KMT2A
SCHEMBL15459665 0.76 CNR1 (0.50) GABRA2GABRB2CNR1CNR2MEN1
SCHEMBL3583946 0.74 CNR1 (0.53) CNR1CNR2
SCHEMBL27915507 0.73 CCKAR (0.41) GABRA2GABRB2CNR1RXFP1MCL1
SCHEMBL4516659 0.73 CNR1 (0.57) GABRA2GABRB2CNR1CNR2
SCHEMBL6335073 0.72 CNR1 (0.64) GABRA2GABRB2CNR1CNR2
SCHEMBL5440875 0.72 CNR1 (0.55) GABRA2GABRB2CNR1RXFP1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101248049-B Imidazole based lxr modulators EXELIXIS INC 2013-08-28 CN disclosed
CN-101248049-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed