SCHEMBL14413644

SCHEMBL14413644

O=C(Nc1ccc(OF)cc1)N1CCC(CO)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.75
▸ ALOX5 P09917 1/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ THRB P10828 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ FAAH O00519 2/20 0.51
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL14413584 0.90 EPHX2 (0.65) EPHX2ALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL13873298 0.86 EPHX2 (1.00) EPHX2ALOX5CYP2C9CYP2C19POLB
SCHEMBL14413342 0.80 SMN1; SMN2 (0.72) EPHX2SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13623458 0.77 EPHX2 (0.84) EPHX2ALOX5CYP2C9CYP2C19POLB
SCHEMBL14413643 0.75 EPHX2 (0.77) EPHX2SMN1; SMN2MEN1KMT2ATHRB
SCHEMBL13623462 0.73 EPHX2 (0.77) EPHX2ALOX5CYP2C9CYP2C19POLB
SCHEMBL14413645 0.72 KDM4E (0.68) EPHX2SMN1; SMN2KMT2AMAPT
SCHEMBL11981665 0.72 KMT2A (0.61) EPHX2ALOX5SMN1; SMN2KMT2AMAPT
SCHEMBL13873288 0.72 EPHX2 (1.00) EPHX2SMN1; SMN2CYP2C9CYP2C19POLB
SCHEMBL13873284 0.71 SMN1; SMN2 (0.74) EPHX2SMN1; SMN2MEN1KMT2AFAAH

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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