SCHEMBL8618547

SCHEMBL8618547

CON=C(C)C(=O)Oc1ccccc1COc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.54
ADRB2 P07550 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.45
CHRM1 P11229 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL8622051 0.90 ANO1 (0.50) MRGPRX4ADRB2PTGDR2MAPT
SCHEMBL8617384 0.90 MRGPRX4 (0.45) MRGPRX4ADRB2PTGDR2MAPT
SCHEMBL8619242 0.86 HDAC8 (0.41) MRGPRX4PTGDR2MAPT
SCHEMBL8620420 0.82 HIF1A (0.44) MRGPRX4MAPT
SCHEMBL8622457 0.82 L3MBTL1 (0.40) PTGDR2MAPT
SCHEMBL8620577 0.82 PARP10 (0.47) MAPT
SCHEMBL8617222 0.81 CDK4 (0.44) PTGDR2MAPT
SCHEMBL8620478 0.81 MRGPRX4 (0.43) MRGPRX4PTGDR2MAPT
SCHEMBL8617286 0.81 PTGDR2 (0.46) PTGDR2MAPT
SCHEMBL8617305 0.81 ALDH1A1 (0.52) MRGPRX4MAPT

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