SCHEMBL9502591

SCHEMBL9502591

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR2 P41597 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LSS P48449 2/20 0.31
CTSK P43235 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
SCHEMBL9506537 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9506541 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9506506 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9502596 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9502612 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9502618 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9506516 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9502660 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL9502653 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM
SCHEMBL10336940 1.00 HTT (0.40) HTTMEN1KMT2ATP53PKM

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