SCHEMBL9504314

SCHEMBL9504314

CCCCCOc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
PPARG P37231 3/20 0.33
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
CNR2 P34972 3/20 0.32
S1PR5 Q9H228 7/20 0.32
CNR1 P21554 2/20 0.32
S1PR1 P21453 4/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
S1PR3 Q99500 2/20 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
SCHEMBL9504354 0.99 PPARG (0.34) CCNE2CCNE1CDK2PPARGTHRA
SCHEMBL9506568 0.92 GAA (0.35) CCNE2CCNE1CDK2PPARGTHRA
SCHEMBL9502608 0.92 MAPT (0.39) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL9504366 0.92 PKM (0.38) CCNE2CCNE1CDK2GAAMAPT
SCHEMBL9506560 0.92 GAA (0.35) CCNE2CCNE1CDK2PPARGTHRA
SCHEMBL9504372 0.92 PKM (0.38) CCNE2CCNE1CDK2GAAMAPT
SCHEMBL9502574 0.91 MEN1 (0.39) PPARGTHRATHRBS1PR5GAA
SCHEMBL9504306 0.91 MEN1 (0.39) PPARGTHRATHRBS1PR5GAA
SCHEMBL9504340 0.91 MEN1 (0.39) PPARGTHRATHRBS1PR5GAA
SCHEMBL9502765 0.91 MEN1 (0.39) PPARGTHRATHRBS1PR5GAA

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-0364548-B1 OCTAFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-06-09 EP disclosed