SCHEMBL10596244

SCHEMBL10596244

CCN(CC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3ccccc32)c(OCc2ccc(C(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
PAX8 Q06710 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CASR P41180 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL10599358 0.93 ALDH1A1 (0.36) MAPTTP53CYP3A4LMNANPSR1
SCHEMBL10601107 0.93 CYP3A4 (0.35) MAPTTP53CYP3A4LMNANPSR1
SCHEMBL10595050 0.92 CYP3A4 (0.36) MAPTCYP3A4LMNANPSR1CYP1A2
SCHEMBL10599863 0.91 CYP3A4 (0.38) MAPTTP53CYP3A4LMNAALDH1A1
SCHEMBL1727569 0.88 CYP3A4 (0.43) MAPTTP53CYP3A4LMNANPSR1
SCHEMBL29982500 0.88 CYP3A4 (0.43) MAPTTP53CYP3A4LMNANPSR1
SCHEMBL9654429 0.87 CYP3A4 (0.38) MAPTTP53CYP3A4LMNANPSR1
SCHEMBL10594111 0.87 CYP3A4 (0.36) MAPTTP53CYP3A4LMNANPSR1
SCHEMBL10593098 0.86 CYP3A4 (0.35) MAPTTP53CYP3A4LMNANPSR1
SCHEMBL9654138 0.86 CYP3A4 (0.38) MAPTTP53CYP3A4LMNANPSR1

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
US-4800193-A ANILINE, INDOLE AND PHTHALEIN DYES; COLORFASTNESS; AROMATIC SOLVENT-SOLUBLE FUJI PHOTO FILM CO., LTD. (JP) 1989-01-24 US disclosed