SCHEMBL9502765

SCHEMBL9502765

CCCCCCCCOc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CCCCCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR2 P41597 1/20 0.35
PPARG P37231 3/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
CES2 O00748 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL9505802 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL9504340 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL13841491 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL9502550 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL9504306 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL9502574 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL13841496 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL9504362 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL9506514 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM
SCHEMBL9502617 1.00 MEN1 (0.39) MEN1HTTKMT2ATP53PKM

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