SCHEMBL9502515

SCHEMBL9502515

CCCCCCCCOc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 3/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
CES2 O00748 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TP53 P04637 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL9506560 0.99 GAA (0.35) THRATHRBMEN1HTTKMT2A
SCHEMBL9506568 0.99 GAA (0.35) THRATHRBMEN1HTTKMT2A
SCHEMBL9504371 0.95 GAA (0.39) MEN1HTTKMT2AGAAMAPT
SCHEMBL9502574 0.95 MEN1 (0.39) THRATHRBMEN1HTTKMT2A
SCHEMBL9504340 0.95 MEN1 (0.39) THRATHRBMEN1HTTKMT2A
SCHEMBL13841496 0.95 MEN1 (0.39) THRATHRBMEN1HTTKMT2A
SCHEMBL9506514 0.95 MEN1 (0.39) THRATHRBMEN1HTTKMT2A
SCHEMBL9504306 0.95 MEN1 (0.39) THRATHRBMEN1HTTKMT2A
SCHEMBL9502765 0.95 MEN1 (0.39) THRATHRBMEN1HTTKMT2A
SCHEMBL9504362 0.95 MEN1 (0.39) 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 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