SCHEMBL9406275

SCHEMBL9406275

CCCCCCCCOc1ccc(C2CCC(C(C)C3CCC(CCCCCCC)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SCN9A Q15858 1/20 0.31
FFAR1 O14842 2/20 0.30
PLA2G2D Q9UNK4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
FPR2 P25090 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
SCHEMBL9406371 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9631181 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9631924 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9406092 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9631554 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9405975 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9406267 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9406083 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9406358 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2
SCHEMBL9405963 1.00 GAA (0.33) GAAMAPTPPARGCNR1CNR2

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
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed