SCHEMBL7945702

SCHEMBL7945702

NC1=Cc2cc3cc4cc5ccccc5cc4cc3cc2C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HBB P68871 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC2A1 P11166 1/20 0.37
NSD2 O96028 2/20 0.36
PTPN1 P18031 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
PTPRC P08575 3/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 3/20 0.35
HTT P42858 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL7898478 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4ALOX15CASP1
SCHEMBL227263 0.96 SLC2A1 (0.39) ALDH1A1HSD17B10CYP3A4ALOX15CASP1
SCHEMBL10591042 0.95 SLC2A1 (0.38) ALDH1A1HSD17B10CYP3A4ALOX15CASP1
SCHEMBL10630648 0.95 SLC2A1 (0.38) ALDH1A1HSD17B10CYP3A4ALOX15CASP1
SCHEMBL28122134 0.80 MAPK1 (0.45) ALDH1A1HSD17B10CYP3A4NPC1RAB9A
SCHEMBL9405259 0.79 CES1 (0.47) ALDH1A1HSD17B10CYP3A4ALOX15CASP1
SCHEMBL10942136 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4NPC1RAB9APTPRC
SCHEMBL30805652 0.78 GSTP1 (0.38) ALDH1A1HSD17B10ALOX15CASP1CASP7
SCHEMBL11424815 0.75 MAOB (0.38) ALDH1A1HSD17B10HIF1APTPN1PTPRC
SCHEMBL8895041 0.75 CYP3A4 (0.40) ALDH1A1HSD17B10CYP3A4HIF1ATDP1

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-6254761-B1 Method of preparing a conductive polymer for electrode and method of forming an electrode NEC CORPORATION (JP) 2001-07-03 US disclosed