SCHEMBL14946809

SCHEMBL14946809

CCNCOCCCc1ccc(C2(c3ccc(OCCCN(C)C)c(C(=O)OCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14946807 0.92 KDM4E (0.33) CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL10348142 0.90 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL14946808 0.90 KDM4E (0.33) CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL14946811 0.90 KDM4E (0.33) KDM4EGAA
SCHEMBL10348172 0.89 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL10348312 0.87 KDM4E (0.35) CYP1A2CYP2D6CYP2C19KDM4EGAA
SCHEMBL10348169 0.86 KDM4E (0.33) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL14928823 0.86 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL10348298 0.85 TDP1 (0.33) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL10348405 0.85 KDM4E (0.35) KDM4E

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-20130122625-A1 METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL CO., LTD. (JP) 2013-05-16 US disclosed