SCHEMBL9224650

SCHEMBL9224650

CCOc1ccc(-c2ccc(-c3ccc(OC(F)F)c(F)c3)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
PTGS2 P35354 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
PPARD Q03181 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIN2B Q13224 1/20 0.38
NQO1 P15559 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
NAAA Q02083 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL9228824 0.96 FFAR1 (0.42) FFAR1PTGS2FFAR4PPARDRAB9A
SCHEMBL9225813 0.92 FFAR1 (0.46) FFAR1FFAR4PPARDRAB9AMEN1
SCHEMBL9227276 0.90 RARA (0.39) FFAR1FFAR4PPARDRAB9AGRIN2B
SCHEMBL9227208 0.90 RARA (0.44) FFAR1FFAR4PPARDCYP2C19
SCHEMBL9228953 0.89 PTGS2 (0.42) FFAR1PTGS2FFAR4PPARDRAB9A
SCHEMBL9225258 0.89 PTGS2 (0.42) FFAR1PTGS2FFAR4PPARDRAB9A
SCHEMBL9220465 0.87 RARB (0.43) FFAR1FFAR4PPARD
SCHEMBL9225663 0.86 RARB (0.42)
SCHEMBL9228752 0.86 RARB (0.42)
SCHEMBL9226457 0.86 RARB (0.42)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-B1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed