SCHEMBL23045941

SCHEMBL23045941

C=C(C)COc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.39
PPARD Q03181 7/20 0.39
NR1H4 Q96RI1 1/20 0.38
CYP3A4 P08684 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 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
SCHEMBL19636594 0.92 FFAR1 (0.43) FFAR1PPARDNR1H4ALDH1A1MAPT
SCHEMBL19882314 0.91 GPR174 (0.41) FFAR1PPARDALDH1A1MAPTKDM4E
SCHEMBL20312018 0.91 GPR174 (0.41) FFAR1PPARDALDH1A1MAPTKDM4E
SCHEMBL9607788 0.88 CFD (0.42) FFAR1CYP3A4AAK1MAPTKDM4E
SCHEMBL20469142 0.87 FFAR1 (0.35) FFAR1PPARDCYP3A4AAK1MAPT
SCHEMBL21884911 0.87 PTGER2 (0.36) FFAR1PPARDALDH1A1MAPTKDM4E
SCHEMBL17433322 0.87 CFD (0.41) FFAR1MAPTKDM4E
SCHEMBL17547381 0.85 AKR1C3 (0.43) ALDH1A1MAPTKDM4EHPGD
SCHEMBL18646588 0.85 FFAR1 (0.40) FFAR1PPARDMAPTKDM4E
SCHEMBL21469890 0.84 RARB (0.42) FFAR1PPARDALDH1A1MAPTPPARA

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
US-10934487-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2021-03-02 US disclosed