SCHEMBL9630304

SCHEMBL9630304

CCCCCC1CCC(C(C)[C@H]2CC[C@H](c3ccc(OCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
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
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL9630264 0.99 GAA (0.33) PPARGGAAMAPTHTR2CHTR2B
SCHEMBL9631117 0.97 PPARG (0.33) PPARGGAAMAPTHTR2CHTR2B
SCHEMBL9631956 0.97 SCN9A (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9632018 0.97 PPARG (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406275 0.96 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406358 0.96 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406267 0.96 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9631554 0.96 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9631181 0.96 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406092 0.96 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1

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