SCHEMBL9053071

SCHEMBL9053071

COC(=O)CCCc1ccc(NC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
CYP4Z1 Q86W10 1/20 0.43
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43
CYP4A11 Q02928 2/20 0.42
CYP4F2 P78329 1/20 0.42
TSHR P16473 1/20 0.42
PTPRB P23467 1/20 0.42
IDO1 P14902 1/20 0.41
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL22921868 0.85 TSHR (0.58) EPHX2CYP4Z1CYP4F11CYP4F12CYP4A11
SCHEMBL13222535 0.82 SMN1; SMN2 (0.56) EPHX2TSHR
SCHEMBL9054540 0.82 EPHX2 (0.53) EPHX2CYP4Z1CYP4F11CYP4F12CYP4A11
SCHEMBL2289168 0.80 CYP4F2 (0.56) CYP4A11CYP4F2L3MBTL1NPC1RAB9A
SCHEMBL6535275 0.79 EPHX2 (0.57) EPHX2TSHRL3MBTL1
SCHEMBL12508639 0.78 TSHR (0.50) EPHX2CYP4Z1CYP4F11CYP4F12CYP4A11
SCHEMBL1863579 0.78 CALM1 (0.55) EPHX2CYP4A11CYP4F2TSHR
SCHEMBL1928824 0.78 PLAAT3 (0.51) EPHX2CYP4Z1CYP4F11CYP4F12CYP4A11
SCHEMBL1866015 0.78 CYP4A11 (0.50) EPHX2CYP4Z1CYP4F11CYP4F12CYP4A11
SCHEMBL3456495 0.78 CYP4A11 (0.53) EPHX2CYP4Z1CYP4F11CYP4F12CYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
WO-1996004246-A1 PHENYLACETAMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 WO disclosed