SCHEMBL10695972

SCHEMBL10695972

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(=O)Nc1ccccc1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.56
FAAH O00519 4/20 0.53
CNR1 P21554 3/20 0.53
CNR2 P34972 2/20 0.53
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42

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
SCHEMBL10693670 0.94 EPHX2 (0.56) EPHX2FAAHCNR1CNR2
SCHEMBL16551681 0.79 EPHX2 (0.63) EPHX2FAAHCNR1CNR2TDP1
SCHEMBL28377940 0.78 EPHX2 (0.62) EPHX2FAAHCNR1CNR2TDP1
SCHEMBL7503155 0.77 ALDH1A1 (0.66) EPHX2FAAHCNR1CNR2TDP1
SCHEMBL11114167 0.76 SOAT2 (0.71) EPHX2FAAHCNR1CNR2ALDH1A1
SCHEMBL10694494 0.75 EPHX2 (0.65) EPHX2FAAHCNR1CNR2ALDH1A1
SCHEMBL10690086 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL28854009 0.75 ALDH1A1 (0.63) EPHX2FAAHCNR1CNR2TDP1
SCHEMBL10693611 0.74 HDAC3 (0.57) TDP1ALDH1A1L3MBTL1MAPT
SCHEMBL10692445 0.74 SMN1; SMN2 (0.61) ALDH1A1TSHRHSD17B10MEN1KMT2A

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 1 patent. 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