SCHEMBL6644376

SCHEMBL6644376

CC1(C)OB(c2ccc(C(OC(=O)n3cccn3)(c3ccccc3)c3ccccc3)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.40
LPL P06858 2/20 0.40
P4HB P07237 1/20 0.39
F2 P00734 3/20 0.36
F11 P03951 3/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
F10 P00742 1/20 0.34
ELANE P08246 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
DGAT1 O75907 1/20 0.33
PDE4B Q07343 1/20 0.33
USP30 Q70CQ3 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL6644374 0.81 FFAR1 (0.43) LIPGLPLP4HBF2F11
SCHEMBL5853306 0.73 LIPE (0.33) LIPGLPLP4HB
SCHEMBL19305515 0.68 LIPG (0.65) LIPGLPLP4HBF2F11
SCHEMBL24028674 0.68 LIPG (0.65) LIPGLPLP4HBF2F11
SCHEMBL26698275 0.68 NOS1 (0.37) F2ELANEPDE4B
SCHEMBL1129175 0.67 LIPG (0.59) LIPGLPLP4HBF2F11
SCHEMBL1129209 0.67 LIPG (0.62) LIPGLPLP4HBF2F11
SCHEMBL23305795 0.66 F11 (0.48) LIPGLPLP4HBF2F11
SCHEMBL870004 0.66 LIPG (0.61) LIPGLPLP4HBF2F11
SCHEMBL3085374 0.65 ROCK2 (0.49) LIPGLPLDGAT1USP30AAK1

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