SCHEMBL13586398

SCHEMBL13586398

COc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.40
▸ SYK P43405 3/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ NAAA Q02083 2/20 0.39
▸ CHRM1 P11229 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ C5AR1 P21730 1/20 0.36

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
SCHEMBL13586101 0.94 SYK (0.39) FFAR1SYKNAAACHRM1ALDH1A1
SCHEMBL13586401 0.89 KDM1A (0.38) ALDH1A1MAPTSMN1; SMN2CSF1R
SCHEMBL12822533 0.87 FFAR4 (0.39) FFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12994390 0.86 FFAR1 (0.41) FFAR1SYKPPARDNAAACHRM1
SCHEMBL12994477 0.85 MRGPRX4 (0.39) FFAR1SYKNAAAMAPK1MAPT
SCHEMBL13586409 0.85 S1PR5 (0.35) FFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12823911 0.85 FFAR4 (0.35) FFAR1PPARDALDH1A1MAPK1MAPT
SCHEMBL13586403 0.84 S1PR5 (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL12823024 0.84 FFAR1 (0.48) FFAR1SYKPPARDNAAAPPARA
SCHEMBL12822221 0.83 FFAR4 (0.34) ALDH1A1MAPTSMN1; SMN2CSF1R

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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