SCHEMBL9503330

SCHEMBL9503330

CCCCCCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
PKM P14618 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
SCHEMBL9503337 1.00 THRA (0.33) THRATHRBMEN1HTTKMT2A
SCHEMBL9502433 0.95 POLB (0.30)
SCHEMBL9502430 0.95 POLB (0.30)
SCHEMBL10336458 0.93 HTT (0.38) THRATHRBMEN1HTTKMT2A
SCHEMBL9502568 0.92 HTT (0.42) THRATHRBMEN1HTTKMT2A
SCHEMBL9506461 0.92 HTT (0.42) THRATHRBMEN1HTTKMT2A
SCHEMBL9505801 0.92 HTT (0.42) THRATHRBMEN1HTTKMT2A
SCHEMBL9502577 0.92 HTT (0.42) THRATHRBMEN1HTTKMT2A
SCHEMBL9502585 0.92 HTT (0.42) THRATHRBMEN1HTTKMT2A
SCHEMBL9505808 0.92 HTT (0.42) THRATHRBMEN1HTTKMT2A

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