SCHEMBL9504371

SCHEMBL9504371

CCCCCCCCOc1c(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 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9502608 0.99 MAPT (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL9504362 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL9506514 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL9502550 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL13841496 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL9502574 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL9504306 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL9502765 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL9504340 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A
SCHEMBL13841491 0.98 MEN1 (0.39) GAAMAPTHTTMEN1KMT2A

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