SCHEMBL7433705

SCHEMBL7433705

CCOC(=O)c1c[nH]c(C)c(-c2ccc(Br)cc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
GABRB1 P18505 1/20 0.58
GABRA3 P34903 1/20 0.58
HTT P42858 1/20 0.51
CLEC4M Q9H2X3 1/20 0.49
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TARBP2 Q15633 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2658810 0.87 TP53 (0.50) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL1559220 0.87 CLEC4M (0.49) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL7434700 0.86 CLEC4M (0.54) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL2658889 0.86 JAK2 (0.54) GABRA1GABRB2GABRB1GABRA3HTT
SCHEMBL2656845 0.84 CLEC4M (0.46) GABRA1GABRB2GABRB1GABRA3HTT
SCHEMBL7439474 0.83 AR (0.60) GABRA1GABRB2HTTCLEC4MKMT2A
SCHEMBL18832216 0.78 GABRA1 (0.54) GABRA1GABRB2GABRB1GABRA3HTT
SCHEMBL2657032 0.78 CLEC4M (0.51) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL2658905 0.77 KDM4E (0.55) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL2659216 0.76 TSHR (0.49) GABRA1GABRB2GABRB1GABRA3HTT

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-6333336-B1 GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION MERCK SHARP & DOHME LTD. (GB) 2001-12-25 US disclosed