SCHEMBL14413648

SCHEMBL14413648

O=C(Nc1ccc(OF)cc1)N1CCCCC1CCO

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.64
▸ ALDH1A1 P00352 1/20 0.57
▸ NAMPT P43490 1/20 0.55
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TERT O14746 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14413643 0.90 EPHX2 (0.77) EPHX2ALDH1A1NAMPTMAPTKMT2A
SCHEMBL13873299 0.87 EPHX2 (0.83) EPHX2ALDH1A1NAMPTKMT2ACYP2C9
SCHEMBL13873300 0.78 EPHX2 (1.00) EPHX2ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL14413584 0.77 EPHX2 (0.65) EPHX2ALDH1A1MAPTKMT2AMEN1
SCHEMBL13873295 0.74 EPHX2 (0.81) EPHX2ALDH1A1MAPTKMT2ALMNA
SCHEMBL11718912 0.74 EPHX2 (0.67) EPHX2ALDH1A1MAPTKMT2ALMNA
SCHEMBL14413342 0.72 SMN1; SMN2 (0.72) EPHX2ALDH1A1MAPTKMT2AMEN1
SCHEMBL3707348 0.71 NAMPT (1.00) NAMPT
SCHEMBL14413644 0.71 EPHX2 (0.75) EPHX2MAPTKMT2AMEN1THRB
SCHEMBL3345206 0.70 NAMPT (0.44) EPHX2ALDH1A1NAMPTMAPTKMT2A

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
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 — — WO disclosed
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