SCHEMBL91833

SCHEMBL91833

CCCOc1cc(OCCC)c(-c2cc(F)c(C(=O)Oc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)c(F)c2)c(OCCC)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
FFAR1 O14842 3/20 0.32
KAT6A Q92794 3/20 0.32
ELANE P08246 1/20 0.32
EPAS1 Q99814 1/20 0.32
PPARD Q03181 1/20 0.30

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
SCHEMBL91834 0.88 GHSR (0.34) RXFP1FFAR1KAT6AELANEEPAS1
SCHEMBL13863856 0.85 FFAR1 (0.34) FFAR1ELANEPPARD
SCHEMBL13863880 0.81 FFAR1 (0.36) FFAR1KAT6AELANEPPARD
SCHEMBL91900 0.73 MMP3 (0.36) FFAR1PPARD
SCHEMBL13186042 0.70 LMNA (0.44) ELANE
SCHEMBL91910 0.70 ADORA3 (0.35) FFAR1ELANE
SCHEMBL91829 0.69 ADORA3 (0.33) FFAR1ELANE
SCHEMBL14640143 0.69 LMNA (0.43) ELANE
SCHEMBL13186040 0.69 LMNA (0.43) ELANE
SCHEMBL14075505 0.69 FFAR1 (0.35) FFAR1ELANEPPARD

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