SCHEMBL9630408

SCHEMBL9630408

CCCCCCCOc1ccc([C@H]2CC[C@H](C(C)C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SCN9A Q15858 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.30
FPR2 P25090 1/20 0.30
CYP2C9 P11712 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
SCHEMBL9632570 0.99 PPARG (0.33) PPARGCNR1CNR2SCN9AFPR2
SCHEMBL9631554 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9405747 0.96 PPARG (0.32) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9406092 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9405975 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9406267 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9631181 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9406275 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9406358 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D
SCHEMBL9406083 0.96 GAA (0.33) PPARGCNR1CNR2SCN9APLA2G2D

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