SCHEMBL9502608

SCHEMBL9502608

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CCR2 P41597 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 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
SCHEMBL9504371 0.99 GAA (0.39) MAPTGAAPOLBHPGDPKM
SCHEMBL9504372 0.98 PKM (0.38) MAPTGAAPOLBHPGDPKM
SCHEMBL9504366 0.98 PKM (0.38) MAPTGAAPOLBHPGDPKM
SCHEMBL9502765 0.96 MEN1 (0.39) MAPTGAAPOLBHPGDPKM
SCHEMBL9504340 0.96 MEN1 (0.39) MAPTGAAPOLBHPGDPKM
SCHEMBL9502574 0.96 MEN1 (0.39) MAPTGAAPOLBHPGDPKM
SCHEMBL9504362 0.96 MEN1 (0.39) MAPTGAAPOLBHPGDPKM
SCHEMBL9504306 0.96 MEN1 (0.39) MAPTGAAPOLBHPGDPKM
SCHEMBL13841496 0.96 MEN1 (0.39) MAPTGAAPOLBHPGDPKM
SCHEMBL9506514 0.96 MEN1 (0.39) MAPTGAAPOLBHPGDPKM

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