SCHEMBL14640317

SCHEMBL14640317

CC(C)(C)OC(=O)NC1(C(=O)O)CCC(OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRL1 P41146 2/20 0.49
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 1/20 0.43
EPHX2 P34913 1/20 0.43
KLK7 P49862 4/20 0.41
KLK5 Q9Y337 3/20 0.41
SIGMAR1 Q99720 2/20 0.40
SYK P43405 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PPARA Q07869 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL7936447 0.93 OPRM1 (0.44) OPRM1OPRL1KMT2AL3MBTL1DPP4
SCHEMBL14640318 0.92 OPRM1 (0.48) OPRM1OPRL1KMT2AL3MBTL1DPP4
SCHEMBL14416216 0.88 KMT2A (0.43) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL5237487 0.88 KMT2A (0.43) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL7932810 0.87 OPRM1 (0.43) OPRM1OPRL1KMT2AL3MBTL1DPP4
SCHEMBL14416217 0.81 KLK7 (0.43) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL7934931 0.81 KMT2A (0.42) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL15580424 0.81 PPARA (0.42) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL15580417 0.81 PPARA (0.44) KMT2AL3MBTL1EPHX2KLK7KLK5
SCHEMBL18614184 0.79 KDM1A (0.44) KMT2AL3MBTL1EPHX2

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-2007001958-A2 STEREOSELECTIVE SYNTHESIS OF AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 2007-01-04 WO disclosed