SCHEMBL7636864

SCHEMBL7636864

CCN(CC)c1[c]c2c(cc1)-c1ccc(N(CC)CC)cc1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S100B P04271 1/20 0.38
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4894950 0.81 CYP3A4 (0.53) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7636297 0.77 ALDH1A1 (0.33) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7631116 0.73 CYP1A2 (0.31) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3419436 0.73 CYP1A2 (0.66) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10343906 0.72 S100B (0.46) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8863601 0.71 CYP3A4 (0.48) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4765911 0.71 ALDH1A1 (0.37) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL29385647 0.70 ALDH1A1 (0.49) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4897902 0.70 ALDH1A1 (0.49) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8863620 0.70 HSD17B10 (0.47) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849288-B1 Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORP (JP) 2002-11-27 EP disclosed
US-5906955-A Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORPORATION (JP) 1999-05-25 US disclosed
EP-0849288-A1 Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORPORATION (JP) 1998-06-24 EP disclosed