SCHEMBL7387752

SCHEMBL7387752

CCc1[c]cc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)c1CC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.40
LTA4H P09960 8/20 0.38
USP7 Q93009 2/20 0.35
GCGR P47871 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
TNK2 Q07912 1/20 0.31
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31

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
SCHEMBL8478847 0.79 LTA4H (0.34) GSTP1LTA4HTSHRNCOA1NCOA3
SCHEMBL22129263 0.76 PTGS1 (0.35) USP7GCGRLMNAHTT
SCHEMBL8476457 0.75 HTT (0.33) GSTP1LTA4HHTT
SCHEMBL8476959 0.73 PDCD1 (0.36) USP7GCGRLMNA
SCHEMBL8477540 0.73 PDE4B (0.42) USP7GCGRTSHR
SCHEMBL8474107 0.71 LTA4H (0.34) GSTP1LTA4H
SCHEMBL8478249 0.69 LTA4H (0.41) GSTP1LTA4H
SCHEMBL8479699 0.69 HEXA (0.38)
SCHEMBL8479756 0.69 HEXA (0.38)
SCHEMBL9730506 0.67 GSTP1 (0.57) GSTP1LTA4HTSHRNCOA1NCOA3

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
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP claimed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO claimed