SCHEMBL14413643

SCHEMBL14413643

O=C(Nc1ccc(OF)cc1)N1CCCCC1CO

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.77
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ABL1 P00519 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
SCHEMBL14413648 0.90 EPHX2 (0.64) EPHX2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL13873300 0.87 EPHX2 (1.00) EPHX2ALDH1A1MAPTTDP1KMT2A
SCHEMBL11718912 0.84 EPHX2 (0.67) EPHX2ALDH1A1MAPTTDP1KMT2A
SCHEMBL11720518 0.79 EPHX2 (0.61) EPHX2ALDH1A1MAPTRAB9ATDP1
SCHEMBL11719448 0.79 KMT2A (0.70) EPHX2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL13873299 0.78 EPHX2 (0.83) EPHX2ALDH1A1TDP1KMT2ANAMPT
SCHEMBL13873295 0.76 EPHX2 (0.81) EPHX2ALDH1A1MAPTTDP1KMT2A
SCHEMBL14413644 0.75 EPHX2 (0.75) EPHX2MAPTKMT2AMEN1THRB
SCHEMBL14413342 0.74 SMN1; SMN2 (0.72) EPHX2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL10524953 0.72 EPHX2 (0.61) EPHX2ALDH1A1MAPTRAB9ATDP1

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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