SCHEMBL8961293

SCHEMBL8961293

CCCCC[C@H]1CC[C@H](c2ccccc2-c2ccc(F)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
CHRM3 P20309 2/20 0.36
KCNA5 P22460 1/20 0.36
PTGS2 P35354 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
OPRL1 P41146 4/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9061916 1.00 GAA (0.37) GAAMAPTCHRM3KCNA5PTGS2
SCHEMBL8453242 0.89 GAA (0.37) GAAMAPTCHRM3PTGS2OPRL1
SCHEMBL8453248 0.89 GAA (0.37) GAAMAPTCHRM3PTGS2OPRL1
SCHEMBL1813176 0.87 FFAR4 (0.34) GAAMAPTCHRM3PTGS2FFAR4
SCHEMBL8390144 0.85 OPRL1 (0.34) GAAMAPTCHRM3PTGS2FFAR4
SCHEMBL263717 0.85 PTGS2 (0.39) GAAMAPTPTGS2MEN1MAPK1
SCHEMBL8387321 0.84 LTB4R2 (0.35) GAAMAPTPTGS2FFAR4OPRL1
SCHEMBL9751895 0.84 GAA (0.41) GAAMAPTPTGS2MEN1MAPK1
SCHEMBL262121 0.84 GAA (0.41) GAAMAPTPTGS2MEN1MAPK1
SCHEMBL29906122 0.84 GAA (0.41) GAAMAPTPTGS2MEN1MAPK1

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-0502407-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1996-02-07 EP disclosed