SCHEMBL9505822

SCHEMBL9505822

CCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9505831 1.00 POLB (0.34) POLBHPGDPKMHTTGAA
SCHEMBL9502713 0.95 MEN1 (0.37) POLBHPGDPKMHTTGAA
SCHEMBL9502706 0.95 MEN1 (0.37) POLBHPGDPKMHTTGAA
SCHEMBL9506489 0.95 POLB (0.40) POLBHPGDPKMHTTGAA
SCHEMBL9506496 0.95 POLB (0.40) POLBHPGDPKMHTTGAA
SCHEMBL9502586 0.94 PKM (0.41) POLBHPGDPKMHTTGAA
SCHEMBL9502582 0.94 PKM (0.41) POLBHPGDPKMHTTGAA
SCHEMBL9503323 0.93 HTT (0.42) POLBHPGDPKMHTTGAA
SCHEMBL9505854 0.93 HTT (0.42) POLBHPGDPKMHTTGAA
SCHEMBL9503319 0.93 HTT (0.42) POLBHPGDPKMHTTGAA

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-0364548-B1 OCTAFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-06-09 EP disclosed
EP-0364548-A1 OCTAFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-25 EP disclosed
WO-1989009203-A1 OCTAFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-10-05 WO disclosed