SCHEMBL10077183

SCHEMBL10077183

CC(CC(=O)O)c1ccc(OCC(CO)COc2ccc(C#N)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
NR3C1 P04150 1/20 0.39
CMKLR1 Q99788 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
S1PR3 Q99500 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL2885942 0.91 NR3C1 (0.42) FFAR1MRGPRX4SLC22A12NR3C1S1PR3
SCHEMBL2889482 0.91 FFAR1 (0.45) FFAR1MRGPRX4SLC22A12FFAR4NR3C1
SCHEMBL223927 0.86 FFAR1 (0.57) FFAR1
SCHEMBL10076909 0.86 FFAR1 (0.41) FFAR1MRGPRX4SLC22A12CMKLR1
SCHEMBL2893994 0.82 NR3C1 (0.42) FFAR1MRGPRX4SLC22A12NR3C1S1PR3
SCHEMBL225912 0.80 MRGPRX4 (0.48) MRGPRX4SLC22A12AR
SCHEMBL224879 0.79 FFAR1 (0.46) FFAR1
SCHEMBL224951 0.77 FFAR1 (0.56) FFAR1
SCHEMBL3920012 0.76 MRGPRX4 (0.46) MRGPRX4SLC22A12NR3C1AR
SCHEMBL10077248 0.73 FFAR1 (0.51) FFAR1FFAR4CMKLR1ALDH1A1TSHR

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-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed