SCHEMBL9506507

SCHEMBL9506507

CCCC[C@H]1CC[C@H](C(=O)Oc2c(F)c(F)c(-c3c(F)c(F)c(OCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
NAAA Q02083 1/20 0.36
PKM P14618 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 2/20 0.33
CCR2 P41597 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
SCHEMBL9502558 0.96 PKM (0.39) MAPTGAAPOLBHPGDHTT
SCHEMBL9505816 0.95 HTT (0.40) MAPTGAAPOLBHPGDHTT
SCHEMBL9505784 0.95 HTT (0.40) MAPTGAAPOLBHPGDHTT
SCHEMBL9502720 0.95 HTT (0.40) MAPTGAAPOLBHPGDHTT
SCHEMBL9502561 0.95 HTT (0.40) MAPTGAAPOLBHPGDHTT
SCHEMBL9505805 0.95 HTT (0.40) MAPTGAAPOLBHPGDHTT
SCHEMBL9502608 0.90 MAPT (0.39) MAPTGAAPOLBHPGDHTT
SCHEMBL9504371 0.89 GAA (0.39) MAPTGAAPOLBHPGDHTT
SCHEMBL9504372 0.88 PKM (0.38) MAPTGAAPOLBHPGDHTT
SCHEMBL9504366 0.88 PKM (0.38) MAPTGAAPOLBHPGDHTT

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