SCHEMBL12202096

SCHEMBL12202096

CCOCO[C@H](C)c1cccc(F)c1CCC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
NLRP3 Q96P20 3/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.35
PTPN1 P18031 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL12202110 0.87 CYP4F2 (0.38) CYP4F2CYP4A11NLRP3LMNAALDH1A1
SCHEMBL10134595 0.81 MGLL (0.36) CYP4F2CYP4A11NLRP3ALDH1A1KDM4E
SCHEMBL13265233 0.81 CYP4F2 (0.55) CYP4F2CYP4A11NLRP3LMNAALDH1A1
SCHEMBL2556229 0.79 CYP4F2 (0.53) CYP4F2CYP4A11NLRP3ALDH1A1KDM4E
SCHEMBL13265232 0.79 CYP4F2 (0.40) CYP4F2CYP4A11LMNAALDH1A1KDM4E
SCHEMBL12202857 0.75 CYP4F2 (0.39) CYP4F2CYP4A11NLRP3LMNAALDH1A1
SCHEMBL12202109 0.74 CYP4F2 (0.38) CYP4F2CYP4A11NLRP3LMNAALDH1A1
SCHEMBL27713100 0.73 CYP4F2 (0.47) CYP4F2CYP4A11NLRP3ALDH1A1KDM4E
SCHEMBL14824605 0.73 CASP1 (0.39) CYP4F2CYP4A11NLRP3ALDH1A1KDM4E
SCHEMBL13265179 0.73 ALDH1A1 (0.40) CYP4F2CYP4A11NLRP3LMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed