SCHEMBL9502586

SCHEMBL9502586

CCCCCC1CCC(C(=O)Oc2c(F)c(F)c(-c3c(F)c(F)c(CCCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
CCR2 P41597 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NAAA Q02083 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
SCHEMBL9502582 1.00 PKM (0.41) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9505766 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9503408 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9505760 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9506503 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9505854 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9503419 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9503323 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9503319 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9505863 0.99 HTT (0.42) PKMHTTMEN1KMT2ACYP1A2

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