SCHEMBL13654058

SCHEMBL13654058

CCOc1ccc(-c2ccc(OCc3ccc(C(C)O)c(F)c3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 8/20 0.44
▸ PPARD Q03181 7/20 0.44
▸ NAAA Q02083 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ CACNA1C Q13936 1/20 0.37
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 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
SCHEMBL10303292 0.88 FFAR1 (0.37) FFAR1PPARDMAOBCYP1A2CYP2D6
SCHEMBL10303270 0.88 FFAR1 (0.42) FFAR1PPARDNAAAFAAHCACNA1C
SCHEMBL10303298 0.87 FFAR1 (0.36) FFAR1PPARDNAAAPPARGPPARA
SCHEMBL10302475 0.86 FFAR1 (0.47) FFAR1PPARDNAAAFAAHCACNA1C
SCHEMBL10302469 0.86 FFAR1 (0.49) FFAR1PPARDNAAACACNA1CPPARG
SCHEMBL10303166 0.85 FFAR1 (0.35) FFAR1PPARDFAAHCACNA1CCYP1A2
SCHEMBL10303274 0.84 FFAR1 (0.46) FFAR1PPARDNAAACACNA1CL3MBTL1
SCHEMBL10302978 0.84 NAAA (0.38) FFAR1PPARDNAAAFAAHPPARA
SCHEMBL10302476 0.83 FFAR1 (0.45) FFAR1PPARDNAAAFAAHCACNA1C
SCHEMBL10302470 0.83 FFAR1 (0.45) FFAR1PPARDNAAAFAAHCACNA1C

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
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — WO disclosed
Send feedback