SCHEMBL1716216

SCHEMBL1716216

CC(C)=C(C(=O)O)c1ccccc1COc1ccc(N(C)CC2CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MRGPRX4 Q96LA9 6/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
PDCD1 Q15116 1/20 0.35
FOLH1 Q04609 1/20 0.35
LTC4S Q16873 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ADAM17 P78536 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL1716217 0.92 NR1H4 (0.37) NR1H4LPAR1LPAR5PTGDR2MRGPRX4
SCHEMBL1263801 0.85 NR1H4 (0.38) NR1H4MRGPRX4CD274FOLH1HTT
SCHEMBL1262609 0.81 HIF1A (0.36) NR1H4LPAR1LPAR5PTGDR2TRPM8
SCHEMBL1262605 0.80 HIF1A (0.35) NR1H4PTGDR2TRPM8LTC4SKCNH2
SCHEMBL1262607 0.80 HIF1A (0.35) NR1H4PTGDR2TRPM8LTC4SKCNH2
SCHEMBL1262610 0.80 HIF1A (0.35) NR1H4PTGDR2TRPM8LTC4SKCNH2
SCHEMBL1715706 0.80 BRD4 (0.39) PTGDR2MRGPRX4CD274PDCD1FOLH1
SCHEMBL1263381 0.78 MRGPRX4 (0.42) PTGDR2MRGPRX4CD274FOLH1HTT
SCHEMBL1263400 0.77 NR1H4 (0.38) NR1H4MRGPRX4CD274FOLH1HTT
SCHEMBL1716016 0.74 MRGPRX4 (0.48) MRGPRX4ADAM17

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
EP-1784173-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC BONE DISEASES CONTAINING ALPHA-ARYLMETHOXYACRYLATE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2012-01-18 EP claimed