SCHEMBL4494807

SCHEMBL4494807

Cc1nn(-c2cc(Cl)ccc2Oc2cccc(Oc3ccc(CC(=O)O)cc3)c2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.43
MCL1 Q07820 3/20 0.43
FFAR1 O14842 3/20 0.42
P2RX3 P56373 2/20 0.42
SRD5A2 P31213 2/20 0.42
PTGDR Q13258 1/20 0.41
P2RX4 Q99571 2/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL3589584 0.81 PPARG (0.47) CPT1ACPT1BPTGDR2FFAR1
SCHEMBL4516754 0.78 SRD5A2 (0.50) CPT1ACPT1BPTGDR2FFAR1SRD5A2
SCHEMBL4525574 0.74 PTGDR2 (0.56) PTGDR2FFAR1P2RX3SRD5A2
SCHEMBL8969156 0.74 SRD5A2 (0.70) FFAR1SRD5A2
SCHEMBL3574981 0.73 PPARG (0.46) PTGDR2FFAR1
SCHEMBL3587335 0.73 KDM4E (0.46) PTGDR2FFAR1
SCHEMBL3576162 0.72 LTB4R (0.48) PTGDR2FFAR1
SCHEMBL9036833 0.72 FFAR1 (0.74) PTGDR2FFAR1PTGDR
SCHEMBL1421946 0.71 PPARG (0.61) PTGDR2FFAR1P2RX3SRD5A2FAAH
SCHEMBL4522014 0.70 FFAR1 (0.50) PTGDR2FFAR1SRD5A2PTGDR

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-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed