SCHEMBL14413645

SCHEMBL14413645

CC1CC(C)CN(C(=O)Nc2ccc(OF)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.68
▸ EPHX2 P34913 3/20 0.54
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.50
▸ GRIN2B Q13224 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ PAX8 Q06710 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BLM P54132 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ LIPE Q05469 1/20 0.45
▸ HPGD P15428 1/20 0.44

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
SCHEMBL13873301 0.85 EPHX2 (0.74) KDM4EEPHX2LIPE
SCHEMBL830019 0.76 KDM4E (0.62) KDM4EEPHX2KMT2ALMNAMAPT
SCHEMBL14413342 0.76 SMN1; SMN2 (0.72) EPHX2KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14413644 0.72 EPHX2 (0.75) EPHX2KMT2AMAPTSMN1; SMN2
SCHEMBL21698459 0.72 KMT2A (0.62) KDM4EEPHX2KMT2ALMNAMAPT
SCHEMBL14413883 0.71 EPHX2 (0.74) EPHX2KMT2ALMNAMAPTALDH1A1
SCHEMBL13873419 0.70 EPHX2 (1.00) EPHX2LIPE
SCHEMBL14413584 0.70 EPHX2 (0.65) KDM4EEPHX2KMT2AMAPTALDH1A1
SCHEMBL1574956 0.69 MAPT (0.66) KMT2AMAPTGRIN2BPAX8SMN1; SMN2
SCHEMBL13873290 0.69 EPHX2 (1.00) EPHX2LMNALIPE

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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