SCHEMBL31589709

SCHEMBL31589709

Oc1ccccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
BCL2L1 Q07817 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
ESR2 Q92731 1/20 0.46
PTPN5 P54829 1/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
AR P10275 2/20 0.40
PGR P06401 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
BACE1 P56817 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39

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
SCHEMBL28443593 0.87 ALDH1A1 (0.41) ALDH1A1HPGDBCL2L1HSD17B10ALOX5AP
SCHEMBL17840122 0.84 FEN1 (0.42) ALOX5APFEN1ARAPPAKR1C3
SCHEMBL2132813 0.81 FEN1 (0.41) ALOX5APFEN1ARAPPAKR1C3
SCHEMBL600030 0.81 HPGD (0.70) ALDH1A1HPGDBCL2L1HSD17B10ESR2
SCHEMBL29975985 0.81 HPGD (0.70) ALDH1A1HPGDBCL2L1HSD17B10ESR2
SCHEMBL9181957 0.81 ESR2 (0.53) ALDH1A1HPGDBCL2L1HSD17B10ALOX5AP
SCHEMBL15110012 0.81 APP (0.54) ALDH1A1HPGDBCL2L1HSD17B10ALOX5AP
SCHEMBL28543728 0.80 ALDH1A1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10ALOX5AP
SCHEMBL2532136 0.80 AR (0.40) ALDH1A1HPGDHSD17B10HSD17B1HSD17B2
SCHEMBL13439489 0.79 PTPRC (0.48) ALDH1A1ALOX5APFEN1MEN1NPC1

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
CN-120040505-A Phosphorus phenol ligand, phosphorus phenol complex, preparation method and application thereof, and ethylene polymerization method 南开大学 2025-05-27 CN disclosed