SCHEMBL16601615

SCHEMBL16601615

CCC(COC)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1ccc(C(c2ccc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(C)C6=O)cc2)(C(F)(F)F)C(F)(F)F)cc1)C3=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APAF1 O14727 1/20 0.33
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GALR3 O60755 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
SCHEMBL16601678 0.83 ALDH1A1 (0.41) POLBKDM4EALDH1A1CYP1A2HPGD
SCHEMBL10018480 0.82 PRMT1 (0.40) POLBKDM4EALDH1A1HPGDAPAF1
SCHEMBL21693418 0.81 POLB (0.39) POLBKDM4EALDH1A1CYP1A2HPGD
SCHEMBL20181632 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HPGDTDP1GALR3
SCHEMBL10018474 0.73 PIN1 (0.36) ALDH1A1HPGDTDP1
SCHEMBL16656165 0.71 CASP3 (0.41) POLBKDM4EALDH1A1HPGD
SCHEMBL18351287 0.71 PIN1 (0.37) POLBKDM4EALDH1A1TDP1
SCHEMBL13259607 0.71 PIN1 (0.34) ALDH1A1TDP1
SCHEMBL16601633 0.71 PRMT1 (0.39) POLBKDM4EALDH1A1HPGD
SCHEMBL13259606 0.70 MEN1 (0.35) POLBALDH1A1TDP1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed