SCHEMBL7366493

SCHEMBL7366493

CC(C)(C)OC(=O)C1(CO)Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
MME P08473 5/20 0.37
GHSR Q92847 1/20 0.37
P4HB P07237 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
NAMPT P43490 2/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL29193914 0.84 POLB (0.36) MMEGHSRP4HBMAPK1EPHX2
SCHEMBL7359095 0.81 GHSR (0.34) ABCB1MMEGHSRP4HBMAPK1
SCHEMBL7365156 0.80 NAMPT (0.34) ABCB1MMEGHSRP4HBMAPK1
SCHEMBL30267728 0.76 MME (0.37) MMEGHSREPHX2NAMPTPOLB
SCHEMBL3700526 0.76 MME (0.37) MMEGHSREPHX2NAMPTPOLB
SCHEMBL27006578 0.75 POLB (0.38) GHSRMAPK1EPHX2NAMPTPOLB
SCHEMBL260410 0.75 MME (0.38) ABCB1MMEGHSRMAPK1EPHX2
SCHEMBL29456934 0.75 MME (0.38) ABCB1MMEGHSRMAPK1EPHX2
SCHEMBL10004678 0.75 CYP4F2 (0.48) P4HBCYP4F2CYP4A11
SCHEMBL32683822 0.74 EPHX2 (0.39) GHSRMAPK1EPHX2NAMPTPOLB

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