SCHEMBL9632018

SCHEMBL9632018

CCCCCOc1ccc([C@H]2CC[C@H](C(C)C3CCC(CCCCC)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SCN9A Q15858 1/20 0.31
FFAR1 O14842 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FPR2 P25090 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL9631924 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406083 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9405975 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9631554 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9631181 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406358 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406092 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406275 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9406267 0.99 GAA (0.33) PPARGGAAMAPTSCN9AFFAR1
SCHEMBL9405963 0.99 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