SCHEMBL28287752

SCHEMBL28287752

CCOC(=O)c1c[nH]c2cc(C)ccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.66
GABRB2 P47870 3/20 0.66
GABRB1 P18505 2/20 0.64
GABRA3 P34903 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
NR4A2 P43354 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CLEC4M Q9H2X3 1/20 0.58
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.52

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
SCHEMBL30417619 0.89 GABRA1 (0.78) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL7284420 0.89 GABRA1 (0.78) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL4742551 0.86 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL30906938 0.86 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL1430217 0.86 GABRA1 (0.81) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL1430520 0.86 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL30906939 0.86 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL7294152 0.86 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL10474074 0.85 MEN1 (0.66) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL2977304 0.85 GABRA1 (0.62) GABRA1GABRB2GABRB1GABRA3L3MBTL1

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
CN-109651247-A A kind of green high-efficient synthetic method of carbostyril compound 云南民族大学 2019-04-19 CN disclosed