SCHEMBL10695946

SCHEMBL10695946

O=C(NCCc1ccccc1)C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CNR1 P21554 1/20 0.52
TAAR1 Q96RJ0 1/20 0.49
KMT2A Q03164 2/20 0.48
KDM4A O75164 1/20 0.48
MEN1 O00255 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX1 P07099 1/20 0.46
GLI1 P08151 1/20 0.46
GLI2 P10070 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL10695951 0.82 POLB (0.57) POLBCNR1KMT2AKDM4ACA12
SCHEMBL10692448 0.81 POLB (0.59) POLBCNR1KMT2AKDM4ACYP2D6
SCHEMBL10693263 0.80 PKM (0.51) POLBKMT2AMEN1ALDH1A1
SCHEMBL10690093 0.80 KLK7 (0.57) POLBCNR1KMT2AMEN1MAPT
SCHEMBL10991686 0.79 POLB (0.60) POLBCNR1KMT2AKDM4ACYP2D6
SCHEMBL13569363 0.78 CNR1 (0.81) POLBCNR1ALDH1A1
SCHEMBL5222146 0.78 POLB (0.46) POLBCNR1KMT2AKDM4ACA2
SCHEMBL8974580 0.76 POLB (0.65) POLBCNR1KMT2AKDM4ACA12
SCHEMBL28414032 0.76 POLB (0.65) POLBCNR1KMT2AKDM4ACA12
SCHEMBL257848 0.76 PKM (0.71) POLBKMT2AMEN1CYP2C19ALDH1A1

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed