SCHEMBL16601678

SCHEMBL16601678

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APAF1 O14727 1/20 0.40
CA9 Q16790 5/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 2/20 0.35
GALR3 O60755 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 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
SCHEMBL21693418 0.86 POLB (0.39) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16601615 0.83 POLB (0.37) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16601642 0.83 POLB (0.62) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16601671 0.82 POLB (0.48) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16601637 0.81 POLB (0.44) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16866428 0.80 POLB (0.46) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16601646 0.79 KDM4E (0.41) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL24976901 0.76 ALDH1A1 (0.35) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16601692 0.75 POLB (0.33) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL16866461 0.75 POLB (0.42) ALDH1A1POLBKDM4ECYP1A2HPGD

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