SCHEMBL3881971

SCHEMBL3881971

CCCCn1ccc2cc(-c3cc(CC(C)C(=O)O)ccc3OCC3CCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
PPARG P37231 6/20 0.39
GRM2 Q14416 6/20 0.39
S1PR1 P21453 1/20 0.35
PPARA Q07869 3/20 0.35
NR1H2 P55055 2/20 0.35
PPARD Q03181 2/20 0.35
NR1H3 Q13133 2/20 0.35
SPHK2 Q9NRA0 1/20 0.34
SRC P12931 1/20 0.34
P2RX3 P56373 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
SCHEMBL3883666 0.88 CHRNA7 (0.42) GRM2P2RX3
SCHEMBL3887928 0.88 CHRNA7 (0.41) GRM2SRC
SCHEMBL3882068 0.87 FFAR4 (0.47) FFAR4PPARGGRM2S1PR1PPARA
SCHEMBL3888290 0.86 P2RX3 (0.38) PPARGGRM2SRCP2RX3
SCHEMBL3892392 0.85 P2RX3 (0.36) PPARGGRM2SRCP2RX3
SCHEMBL3881933 0.84 FFAR4 (0.43) FFAR4PPARGGRM2PPARANR1H2
SCHEMBL3883330 0.82 FFAR4 (0.45) FFAR4PPARGGRM2S1PR1PPARA
SCHEMBL3882409 0.80 PTGER1 (0.42) PPARGPPARAPPARDSRC
SCHEMBL3890246 0.79 PTGER1 (0.40) PPARGPPARAPPARDSRCP2RX3
SCHEMBL3888819 0.79 GRM2 (0.40) FFAR4PPARGGRM2PPARAPPARD

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-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed