SCHEMBL6644374

SCHEMBL6644374

CC1(C)OB(c2cnn(C(=O)OC(c3ccccc3)(c3ccccc3)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
LIPG Q9Y5X9 2/20 0.37
LPL P06858 1/20 0.37
P4HB P07237 1/20 0.36
SCD O00767 1/20 0.35
DGAT1 O75907 2/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
USP30 Q70CQ3 1/20 0.34
F2 P00734 3/20 0.33
F11 P03951 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
F10 P00742 1/20 0.32
LIPE Q05469 3/20 0.32
ROCK1 Q13464 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL141413 0.83 FFAR1 (0.52) FFAR1SCDDGAT1USP30F2
SCHEMBL6644376 0.81 LIPG (0.40) LIPGLPLP4HBDGAT1USP30
SCHEMBL29071418 0.79 FFAR1 (0.49) FFAR1LIPGLPLP4HBDGAT1
SCHEMBL5853306 0.78 LIPE (0.33) LIPGLPLP4HBLIPE
SCHEMBL680013 0.77 FFAR1 (0.52) FFAR1LIPGLPLP4HBDGAT1
SCHEMBL1650157 0.76 FFAR1 (0.50) FFAR1LIPGLPLDGAT1USP30
SCHEMBL19341509 0.75 FFAR1 (0.44) FFAR1SCDDGAT1USP30
SCHEMBL25826104 0.75 FFAR1 (0.44) FFAR1SCDDGAT1USP30
SCHEMBL860835 0.75 FFAR1 (0.46) FFAR1P4HBDGAT1USP30IRAK4
SCHEMBL22960902 0.75 FFAR1 (0.47) FFAR1LIPGLPLSCDDGAT1

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
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed