SCHEMBL3718964

SCHEMBL3718964

CC(C)CNC[C@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
ENPP2 Q13822 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
LAP3 P28838 1/20 0.45
REN P00797 1/20 0.44
MAOB P27338 1/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PPARG P37231 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
CTSK P43235 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4356346 0.89 ENPP2 (0.51) LTA4HENPP2LAP3RENMAOB
SCHEMBL4345257 0.89 ENPP2 (0.51) LTA4HENPP2LAP3RENMAOB
SCHEMBL12783530 0.88 ACACB (0.50) LTA4HENPP2LAP3MAOBMME
SCHEMBL5945448 0.87 REN (0.54) ENPP2REN
SCHEMBL13630987 0.87 REN (0.54) ENPP2REN
SCHEMBL24324236 0.86 TRPM8 (0.56) ACE2CTSKTRPM8CTSSSPPL2A
SCHEMBL5413813 0.86 TRPM8 (0.56) ACE2CTSKTRPM8CTSSSPPL2A
SCHEMBL7698179 0.86 TRPM8 (0.56) ACE2CTSKTRPM8CTSSSPPL2A
SCHEMBL4910315 0.86 TRPM8 (0.56) ACE2CTSKTRPM8CTSSSPPL2A
SCHEMBL15195992 0.86 ENPP2 (0.55) LTA4HENPP2RENMAOBMME

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-2010135424-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-11-25 WO disclosed