SCHEMBL9630264

SCHEMBL9630264

CCCCCCCC1CCC(C(C)[C@H]2CC[C@H](c3ccc(OCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
SCN9A Q15858 1/20 0.31
FFAR1 O14842 2/20 0.30

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
SCHEMBL9630304 0.99 PPARG (0.32) GAAMAPTPPARGHTR2CHTR2B
SCHEMBL9631554 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9631181 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9630350 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9406358 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9406092 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9406275 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9405975 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9406267 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1
SCHEMBL9406083 0.97 GAA (0.33) GAAMAPTPPARGSCN9AFFAR1

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-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed