SCHEMBL84316

SCHEMBL84316

Fc1cc(OC(F)(F)c2c(F)cc(-c3c(OCc4ccccc4)cc(OCc4ccccc4)cc3OCc3ccccc3)cc2F)cc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FFAR1 O14842 5/20 0.35
▸ ERN1 O75460 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM1A O60341 4/20 0.34
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ AR P10275 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL84348 0.86 MAOA (0.33) FFAR1MAPK14
SCHEMBL83805 0.78 HTR1A (0.32) KDM1A
SCHEMBL4415939 0.78 FFAR1 (0.32) FFAR1
SCHEMBL4413888 0.77 RARA (0.33) FFAR1PPARD
SCHEMBL30332160 0.76 CTSV (0.42) L3MBTL1MEN1KMT2ACTSVCTSL
SCHEMBL10097922 0.76 PTGS1 (0.38) L3MBTL1FFAR1
SCHEMBL83011 0.76 FFAR4 (0.32) FFAR1FFAR4PPARD
SCHEMBL13865551 0.76 FFAR1 (0.34) L3MBTL1FFAR1
SCHEMBL18455346 0.76 AKR1C2 (0.35) —
SCHEMBL92019 0.75 PIN1 (0.43) PIN1L3MBTL1FFAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 — — US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 — — US disclosed
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