SCHEMBL10692779

SCHEMBL10692779

CC(=O)OC(C(=O)NCCCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
MMP8 P22894 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.49
EPHX2 P34913 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
EPHX1 P07099 1/20 0.47
CNR1 P21554 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDM4A O75164 1/20 0.45

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
SCHEMBL10694706 0.96 POLB (0.56) POLBMMP8L3MBTL1CYP2D6CYP2C9
SCHEMBL9501899 0.92 MMP8 (0.50) POLBMMP8CYP2C9CYP2C19HPGD
SCHEMBL10693248 0.83 TAAR1 (0.49) CYP2D6CYP2C19KMT2AHPGDNPC1
SCHEMBL10691473 0.83 RIPK1 (0.53) MMP8CYP2C9HPGDRAB9AGAA
SCHEMBL10693892 0.82 SMN1; SMN2 (0.57) KMT2ANPC1RAB9AGAASMN1; SMN2
SCHEMBL10694507 0.80 CNR1 (0.40) L3MBTL1CYP2C19KMT2ANPC1RAB9A
SCHEMBL10694773 0.80 MAPT (0.46) POLBMMP8CYP2C9CYP2C19HPGD
SCHEMBL10689506 0.78 MMP8 (0.48) POLBMMP8CYP2C9CYP2C19HPGD
SCHEMBL10993323 0.77 ALDH1A1 (0.58) POLBKMT2AHPGDNPC1RAB9A
SCHEMBL10991594 0.77 NPC1 (0.55) POLBMMP8CYP2C9CYP2C19HPGD

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 claimed
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