SCHEMBL5846764

SCHEMBL5846764

O=C(O)OCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
MAPK1 P28482 1/20 0.44
KIF11 P52732 9/20 0.43
KCNN4 O15554 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CES1 P23141 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL10664452 0.91 KIF11 (0.50) HIF1AMAPK1KIF11MAPTALDH1A1
SCHEMBL9601801 0.83 HIF1A (0.41) HIF1AMAPK1KIF11KCNN4CYP2C19
SCHEMBL9189254 0.83 ALDH1A1 (0.52) HIF1AMAPK1KIF11KCNN4CYP2C19
SCHEMBL8040554 0.83 HIF1A (0.44) HIF1AMAPK1KCNN4CYP2C19CYP1A2
SCHEMBL8034194 0.81 HIF1A (0.59) HIF1AMAPK1KIF11KCNN4CYP2C19
SCHEMBL7565230 0.80 HIF1A (0.39) HIF1AMAPK1KIF11KCNN4CYP2C19
SCHEMBL6932099 0.79 HIF1A (0.38) HIF1AMAPK1KIF11KCNN4CYP2C19
SCHEMBL22411320 0.79 KCNN4 (0.39) HIF1AMAPK1KIF11KCNN4CYP2C19
Hydrochloric Acid SCHEMBL3839261 0.79 KIF11 (0.41) HIF1AMAPK1KIF11KCNN4CYP2C19
Hydrochloric Acid SCHEMBL1249575 0.79 HIF1A (0.38) HIF1AMAPK1KIF11KCNN4CYP2C19

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-7012138-B1 Chiral polysaccharide esters, one of the methods for preparing them and their uses for obtaining optically enriched acids or for chiral chromatography UNIVERSITE DE DROIT D'ECONOMIE ET DES SCIENCES D'AIZ-MARSEILLE (FR) 2006-03-14 US disclosed