SCHEMBL9840493

SCHEMBL9840493

O=C(O)CCOc1cccc2c(Oc3ccc(C(F)(F)F)cc3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.47
FFAR1 O14842 4/20 0.46
LMNA P02545 1/20 0.43
MAPK14 Q16539 3/20 0.43
PPARD Q03181 3/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
FFAR4 Q5NUL3 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MCL1 Q07820 1/20 0.41
THRB P10828 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
TNNI3K Q59H18 1/20 0.40
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10675484 0.88 LMNA (0.54) S1PR5FFAR1LMNAMAPK14PPARD
SCHEMBL10667784 0.81 L3MBTL1 (0.56) FFAR1MAPK14PPARDPPARAFFAR4
SCHEMBL11605293 0.79 L3MBTL1 (0.61) S1PR5FFAR1PPARDPPARAFFAR4
SCHEMBL9643981 0.75 ESR1 (0.41) LMNAMAPK14THRBBRAFKDR
SCHEMBL9840490 0.74 PTGDR2 (0.47) FFAR1MAPK14PPARDPPARGPPARA
SCHEMBL10572651 0.74 FFAR1 (0.55) FFAR1LMNAPPARDPPARGPPARA
SCHEMBL10348407 0.74 CACNA1B (0.44) LMNAMAPK14PPARDPPARGPPARA
SCHEMBL28818843 0.73 MAPK14 (0.47) FFAR1LMNAMAPK14PPARGL3MBTL1
SCHEMBL30601558 0.73 FFAR4 (0.61) S1PR5FFAR1MAPK14PPARDPPARA
SCHEMBL22439115 0.73 FFAR4 (0.61) S1PR5FFAR1MAPK14PPARDPPARA

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-4994601-A Postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-02-19 US claimed