SCHEMBL8624577

SCHEMBL8624577

CCO/N=C(\C(=O)O)c1ccccc1COc1ccc(Cl)cc1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.47
MAPT P10636 1/20 0.46
ANO1 Q5XXA6 2/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
ANO2 Q9NQ90 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL8624580 1.00 MRGPRX4 (0.53) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8622779 0.91 MRGPRX4 (0.50) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8622780 0.91 MRGPRX4 (0.50) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8622089 0.90 MRGPRX4 (0.54) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8622088 0.90 MRGPRX4 (0.54) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8395210 0.89 MRGPRX4 (0.47) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8395204 0.89 MRGPRX4 (0.47) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8398055 0.88 MRGPRX4 (0.47) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL8398061 0.88 MRGPRX4 (0.47) MRGPRX4PTGDR2MAPTANO1FFAR1
SCHEMBL349565 0.88 HTT (0.47) MRGPRX4PTGDR2MAPTFFAR1FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed