SCHEMBL5407659

SCHEMBL5407659

CN(C)c1[c]c2ccc3ccccc3c2cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.45
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
CYP2A6 P11509 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 2/20 0.38
HPGD P15428 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 4/20 0.35
MAPT P10636 2/20 0.35
CYP1A1 P04798 1/20 0.35
PAX8 Q06710 1/20 0.34

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
SCHEMBL638648 0.79 NCF1 (0.36) MAPTKDM4E
SCHEMBL3112841 0.76 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL2257445 0.74 CYP2A6 (0.34) HSD17B10ALDH1A1CYP2A6TDP1HIF1A
SCHEMBL18317617 0.74 HPRT1 (0.54) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL3118152 0.73 HPRT1 (0.46) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL6436724 0.72 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL2139310 0.72 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL1986723 0.72 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL8571906 0.72 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL8693942 0.72 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6

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
US-7230062-B2 Acrylic copolymer KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2007-06-12 US disclosed
US-20050182224-A1 Acrylic copolymer KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2005-08-18 US disclosed