SCHEMBL28096196

SCHEMBL28096196

CCc1ccc2cc3ccccc3c(C(=O)c3c4ccccc4cc4ccc(CC)cc34)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CNR2 P34972 5/20 0.48
RIOK2 Q9BVS4 1/20 0.42
CYP2D6 P10635 2/20 0.41
AKR1B1 P15121 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 2/20 0.39
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL27480938 0.78 CYP1A2 (0.55) CYP1A2CYP2A6MEN1KMT2AKIF11
Methane SCHEMBL7936819 0.77 CYP1A2 (0.53) CYP1A2CYP2A6MEN1KMT2AKIF11
SCHEMBL1898791 0.75 CYP1A2 (0.67) CYP1A2CYP2A6CYP2C19ALDH1A1HPGD
SCHEMBL1070224 0.75 CYP1A2 (0.52) CYP1A2CYP2A6CYP2C19KDM4EHSD17B10
SCHEMBL9040952 0.75 CYP1A2 (0.65) CYP1A2CYP2A6CYP2C19ALDH1A1HPGD
SCHEMBL27860854 0.75 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL5749367 0.75 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HPGDKMT2A
SCHEMBL27326726 0.74 CNR1 (0.44) CYP1A2CYP2A6CYP2C19ALDH1A1HPGD
SCHEMBL8941197 0.74 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL23271768 0.74 CYP1A2 (0.42) CYP1A2CYP2A6CYP2C19ALDH1A1HPGD

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-104290483-B Sensitive lithographic plate master and printing process thereof 乐凯华光印刷科技有限公司 2016-09-14 CN disclosed