SCHEMBL14409657

SCHEMBL14409657

CCOc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(C)cc2)C6=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPBWR1 P48145 2/20 0.44
MCHR1 Q99705 2/20 0.44
POLB P06746 2/20 0.43
APAF1 O14727 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3408128 0.94 CYP2D6 (0.57) CYP2D6CYP2C9ALDH1A1KDM4ELMNA
SCHEMBL29353556 0.94 CYP2D6 (0.57) CYP2D6CYP2C9ALDH1A1KDM4ELMNA
SCHEMBL19969324 0.88 POLB (0.60) CYP2D6CYP2C9ALDH1A1KDM4ELMNA
SCHEMBL9638650 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL12960422 0.85 CYP2D6 (0.48) CYP2D6CYP2C9ALDH1A1KDM4ELMNA
SCHEMBL15672150 0.85 CYP2D6 (0.48) CYP2D6CYP2C9ALDH1A1KDM4ELMNA
SCHEMBL15672159 0.85 ESR1 (0.57) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11862277 0.79 KDM4E (0.74) CYP2D6CYP2C9ALDH1A1KDM4ELMNA
SCHEMBL11990862 0.79 ALDH1A1 (0.70) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL12341700 0.78 ESR1 (0.63) ALDH1A1KDM4EMEN1KMT2AGAA

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
US-20180100076-A1 CURABLE COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC 2018-04-12 US disclosed
US-20180072900-A1 CURABLE COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC 2018-03-15 US disclosed
US-20070207398-A1 ELECTROSTATIC IMAGE DEVELOPING TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2007-09-06 US disclosed