SCHEMBL3963317

SCHEMBL3963317

CCCc1ccccc1-c1cc(C)cc(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
DHFR P00374 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
NSD2 O96028 2/20 0.33
POLB P06746 2/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL3955348 0.87 DHFR (0.47) ALDH1A1KDM4EDHFRCYP1A1CYP1A2
SCHEMBL3962186 0.77 CTSD (0.41) ALDH1A1KDM4EDHFRCYP1A1CYP1A2
SCHEMBL6704515 0.76 PPARA (0.41) ALDH1A1KDM4EHPGDCSNK2A2CSNK2B
SCHEMBL3789931 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ECYP1A1CYP1A2MAPT
SCHEMBL23932622 0.74 KDM4E (0.48) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL3958769 0.73 KDM4E (0.37) ALDH1A1KDM4EDHFRNOS3NOS1
SCHEMBL1646437 0.73 ALDH1A1 (0.54) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL9006040 0.71 PTPRC (0.52) ALDH1A1KDM4ETAAR1MAPTMEN1
SCHEMBL5616144 0.70 CYP2A6 (0.48) ALDH1A1KDM4EDHFRCA12CA1
SCHEMBL11636133 0.70 SKP2 (0.42) ALDH1A1KDM4ENOS2MAPTTHRB

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
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed