SCHEMBL9249405

SCHEMBL9249405

CCCCCC1CCC(C2CCC(c3ccc(F)c(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
OPRL1 P41146 16/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9249400 1.00 GAA (0.37) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9249367 0.96 OPRL1 (0.37) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9249377 0.96 OPRL1 (0.37) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9406012 0.96 GAA (0.39) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9406020 0.96 GAA (0.39) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9406039 0.94 GAA (0.41) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9406659 0.94 GAA (0.41) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9406651 0.94 GAA (0.41) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9406179 0.94 GAA (0.41) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL9406186 0.94 GAA (0.41) GAAMAPTOPRL1MEN1KMT2A

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
WO-1995010496-A1 2,3,4-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-20 WO disclosed