SCHEMBL10692448

SCHEMBL10692448

CC(=O)OC(C(=O)NCCc1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
CNR1 P21554 1/20 0.51
TSHR P16473 1/20 0.51
GLS O94925 2/20 0.51
KDM4A O75164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL10689564 0.92 CNR1 (0.63) CNR1GLSKDM4ACYP2D6CYP2C9
SCHEMBL10693205 0.91 KLK7 (0.53) POLBCNR1GLSSMN1; SMN2NPC1
SCHEMBL10693840 0.91 CNR1 (0.58) POLBALDH1A1CNR1GLSKDM4A
SCHEMBL10693452 0.90 SMN1; SMN2 (0.57) CNR1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL28026850 0.87 KMT2A (0.55) POLBALDH1A1CNR1SMN1; SMN2NPC1
SCHEMBL28026853 0.87 KMT2A (0.55) POLBALDH1A1CNR1SMN1; SMN2NPC1
SCHEMBL10991686 0.86 POLB (0.60) POLBCNR1KDM4ASMN1; SMN2NPC1
SCHEMBL4158522 0.85 PKM (0.62) ALDH1A1CYP3A4TSHRGLSKMT2A
SCHEMBL4158526 0.85 PKM (0.62) ALDH1A1CYP3A4TSHRGLSKMT2A
SCHEMBL4162007 0.85 PKM (0.62) ALDH1A1CYP3A4TSHRGLSKMT2A

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 7 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 claimed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP claimed
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
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
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed