SCHEMBL11684686

SCHEMBL11684686

CCCCCCCCCCNc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.62
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
HIF1A Q16665 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ABL1 P00519 1/20 0.54
PPARG P37231 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL10583953 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL27789667 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL11683181 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL11684553 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL11686248 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL11684481 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL11683978 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL11129979 1.00 EPHX1 (0.62) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL8589161 0.98 EPHX1 (0.60) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL10489352 0.93 ALDH1A1 (0.60) EPHX1ALDH1A1CYP3A4HSD17B10CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4056367-A DYEING PETROLEUM, INKS, FATS, WAXES, PLASTICS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-11-01 US disclosed
US-4042579-A Liquid disazo dyestuffs derived from diphenylsulphide PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-08-16 US disclosed