SCHEMBL10695951

SCHEMBL10695951

O=C(NCCc1ccccc1)C(OCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CNR1 P21554 3/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.49
KDM4A O75164 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 1/20 0.46
CNR2 P34972 2/20 0.46
OPRK1 P41145 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
SCHEMBL10695946 0.82 POLB (0.57) POLBCNR1KDM4ACA12CA2
SCHEMBL10692448 0.81 POLB (0.59) POLBCNR1SMN1; SMN2RECQLKDM4A
SCHEMBL29291234 0.80 CTSD (0.51) HTTSMN1; SMN2RECQLCYP2D6CYP2C9
SCHEMBL10690093 0.80 KLK7 (0.57) POLBCNR1KMT2A
SCHEMBL10991686 0.79 POLB (0.60) POLBCNR1SMN1; SMN2RECQLKDM4A
SCHEMBL13569363 0.78 CNR1 (0.81) POLBCNR1HTTSMN1; SMN2CNR2
SCHEMBL8870449 0.78 ALDH1A1 (0.52) HTTSMN1; SMN2RECQLCYP2D6CYP2C9
SCHEMBL5222146 0.78 POLB (0.46) POLBCNR1HTTSMN1; SMN2KDM4A
SCHEMBL1586340 0.77 SLC1A3 (0.54) HTTSMN1; SMN2RECQLCYP2D6CYP2C9
SCHEMBL8974580 0.76 POLB (0.65) POLBCNR1KDM4ACA12CA2

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