SCHEMBL7939167

SCHEMBL7939167

C=C(COC(=O)C1CC1)c1ccc(C(=O)OC)nc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL1003197 0.88 MAPK1 (0.56) MAPK1KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL1000357 0.83 MAPK1 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL7940985 0.80 MAPK1 (0.68) MAPK1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL7882276 0.72 MAPK1 (0.74) MAPK1KDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL1004608 0.72 MAPK1 (0.64) MAPK1KDM4EL3MBTL1HPGDNPC1
SCHEMBL69747 0.72 MAPK1 (1.00) MAPK1KDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL29508473 0.72 MAPK1 (1.00) MAPK1KDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL26984690 0.72 MAPK1 (0.68) MAPK1KDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL29153940 0.71 MAPK1 (0.66) MAPK1KDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL7356681 0.70 MAPK1 (0.75) MAPK1KDM4EL3MBTL1ALDH1A1HPGD

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-2010017079-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2010-02-11 WO disclosed