SCHEMBL7359095

SCHEMBL7359095

CC(=O)SCC1(C(=O)OC(C)(C)C)Cc2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.34
MME P08473 1/20 0.33
NAMPT P43490 2/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
NOTUM Q6P988 1/20 0.33
ACE P12821 2/20 0.32
P4HB P07237 1/20 0.32
IDO1 P14902 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7366493 0.81 ABCB1 (0.40) GHSRMMENAMPTMAPK1EPHX2
SCHEMBL7359978 0.79 MME (0.41) MMENOTUMACE
SCHEMBL29193914 0.78 POLB (0.36) GHSRMMENAMPTMAPK1EPHX2
SCHEMBL7364717 0.76 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL7365156 0.74 NAMPT (0.34) GHSRMMENAMPTMAPK1EPHX2
SCHEMBL7302752 0.73 ACE (0.38) MMEACE
SCHEMBL7292698 0.71 MME (0.38) MME
SCHEMBL7300905 0.71 MME (0.64) MME
SCHEMBL30267728 0.70 MME (0.37) GHSRMMENAMPTEPHX2POLB
SCHEMBL3700526 0.70 MME (0.37) GHSRMMENAMPTEPHX2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407960-A For cardiovascualr disorders, pain SCHERING CORPORATION (US) 1995-04-18 US disclosed
WO-1991009840-A1 MERCAPTOCYCLOACYL AMINOACID ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1991-07-11 WO disclosed