SCHEMBL13265232

SCHEMBL13265232

CCOCO[C@H](C)c1cc(F)c(F)cc1CCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
PTPN1 P18031 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TNF P01375 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
SCHEMBL6800028 0.87 CYP4F2 (0.39) CYP4F2CYP4A11PKMALDH1A1GAA
SCHEMBL10134625 0.81 CYP4F2 (0.36) CYP4F2CYP4A11PKMALDH1A1GAA
SCHEMBL13265233 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL12202096 0.79 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL10134623 0.75 CYP4F2 (0.36) CYP4F2CYP4A11PKMALDH1A1GAA
SCHEMBL12202099 0.73 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL13265175 0.72 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL31295082 0.71 CYP4F2 (0.48) CYP4F2CYP4A11PKMALDH1A1GAA
SCHEMBL13263963 0.71 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL6745216 0.71 CYP4F2 (0.36) CYP4F2CYP4A11PKMALDH1A1GAA

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-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed