SCHEMBL7075423

SCHEMBL7075423

O=C(O)NCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KCNN4 O15554 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 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
SCHEMBL2065478 0.85 MEN1 (0.50) KIF11MEN1KMT2ACYP2C19CYP1A2
SCHEMBL20909439 0.83 BCAT2 (0.46) KIF11KMT2ACYP2C19KCNN4HIF1A
SCHEMBL17833433 0.82 GAA (0.59) LMNAPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL22704303 0.80 POLB (0.51) KIF11KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL3112777 0.79 CYP2C19 (0.47) KMT2ACYP2C19KCNN4HIF1AHDAC3
SCHEMBL9684810 0.78 CYP2C19 (0.56) MEN1KMT2ACYP2C19KCNN4HIF1A
SCHEMBL9684808 0.78 CYP2C19 (0.56) MEN1KMT2ACYP2C19KCNN4HIF1A
SCHEMBL2065905 0.78 CHRM2 (0.40) CYP2C19CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12393357 0.76 MAPT (0.46) KIF11KMT2ACYP2C19CYP1A2CYP2D6
SCHEMBL3825547 0.76 GAA (0.38) MEN1KMT2ACYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135417-B1 POLYSACCHARIDE CHIRAL ESTERS, ONE OF THE METHODS FOR PREPARING THEM AND THEIR USES FOR OBTAINING OPTICALLY ENRICHED ACIDS OR CHIRAL CHROMATOGRAPHY UNIV DROIT D ECONOMIE ET DES S (FR) 2003-06-25 EP disclosed
EP-1135417-A1 POLYSACCHARIDE CHIRAL ESTERS, ONE OF THE METHODS FOR PREPARING THEM AND THEIR USES FOR OBTAINING OPTICALLY ENRICHED ACIDS OR CHIRAL CHROMATOGRAPHY Universite De Droit, D'Economie et des Sciences D'Aix-Marseille (FR) 2001-09-26 EP disclosed
WO-2000032638-A1 POLYSACCHARIDE CHIRAL ESTERS, ONE OF THE METHODS FOR PREPARING THEM AND THEIR USES FOR OBTAINING OPTICALLY ENRICHED ACIDS OR CHIRAL CHROMATOGRAPHY UNIVERSITE DE DROIT, D'ECONOMIE ET DES SCIENCES D'AIX-MARSEILLE (FR) 2000-06-08 WO disclosed