SCHEMBL7539729

SCHEMBL7539729

O=C(O)C(CCCc1ccccc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
EPHX1 P07099 4/20 0.52
TAAR1 Q96RJ0 1/20 0.49
CHRM3 P20309 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP2 P08253 2/20 0.46
MMP3 P08254 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
GRIK1 P39086 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
SCHEMBL5652285 0.91 L3MBTL1 (0.52) EPHX2L3MBTL1HTTEPHX1TAAR1
SCHEMBL10399364 0.86 TBXAS1 (0.51)
SCHEMBL10399365 0.86 TBXAS1 (0.51)
SCHEMBL8129250 0.85 CPN1 (0.50) EPHX2SMN1; SMN2GRIK1
SCHEMBL10398309 0.85 TBXAS1 (0.52)
SCHEMBL10398308 0.85 TBXAS1 (0.52)
SCHEMBL9521048 0.83 TBXAS1 (0.53) L3MBTL1
SCHEMBL9520578 0.81 TBXAS1 (0.55) L3MBTL1
SCHEMBL27495306 0.81 CYP2C9 (0.61) EPHX2EPHX1TAAR1CYP2C9CYP2C19
SCHEMBL7380729 0.79 ACE (0.49) EPHX2L3MBTL1HTTEPHX1TAAR1

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed