SCHEMBL10694494

SCHEMBL10694494

O=C(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.65
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 2/20 0.52
TAAR1 Q96RJ0 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
CNR1 P21554 3/20 0.49
FAAH O00519 2/20 0.49

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
SCHEMBL28665630 0.79 EPHX2 (1.00) EPHX2MEN1KMT2AALDH1A1KDM4E
SCHEMBL22411430 0.76 EPHX2 (0.95) EPHX2KDM4ERAB9AMAPTHDAC3
SCHEMBL29510584 0.75 MAPT (0.78) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL20553719 0.75 MAPT (0.78) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL10693670 0.75 EPHX2 (0.56) EPHX2CNR1FAAHCNR2
SCHEMBL10695972 0.75 EPHX2 (0.56) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL10180474 0.75 EPHX2 (0.93) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL10180472 0.75 EPHX2 (0.93) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL20553952 0.75 MAPT (0.79) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL30038291 0.75 MAPT (0.79) MEN1KMT2AALDH1A1KDM4ERAB9A

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