SCHEMBL9505782

SCHEMBL9505782

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
CCR2 P41597 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9505786 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9505797 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9502577 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9505801 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9502585 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9506461 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9505811 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9505808 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9502568 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53
SCHEMBL9502576 1.00 HTT (0.42) HTTMEN1KMT2APKMTP53

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