SCHEMBL8622780

SCHEMBL8622780

CCON=C(C(=O)Cl)c1ccccc1COc1ccc(Cl)cc1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.50
ANO1 Q5XXA6 4/20 0.47
ANO2 Q9NQ90 1/20 0.46
MAPT P10636 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8622779 1.00 MRGPRX4 (0.50) MRGPRX4ANO1ANO2MAPTPTGDR2
SCHEMBL8624580 0.91 MRGPRX4 (0.53) MRGPRX4ANO1ANO2MAPTPTGDR2
SCHEMBL8624577 0.91 MRGPRX4 (0.53) MRGPRX4ANO1ANO2MAPTPTGDR2
SCHEMBL8395210 0.91 MRGPRX4 (0.47) MRGPRX4ANO1ANO2MAPTPTGDR2
SCHEMBL8395204 0.91 MRGPRX4 (0.47) MRGPRX4ANO1ANO2MAPTPTGDR2
SCHEMBL8617226 0.90 HIF1A (0.53) MRGPRX4ANO1ANO2MAPTPTGDR2
SCHEMBL8617228 0.90 HIF1A (0.53) MRGPRX4ANO1ANO2MAPTPTGDR2
SCHEMBL8622760 0.89 TP53 (0.46) MRGPRX4MAPTPTGDR2FFAR1FFAR4
SCHEMBL8622758 0.89 TP53 (0.46) MRGPRX4MAPTPTGDR2FFAR1FFAR4
SCHEMBL8398061 0.88 MRGPRX4 (0.47) MRGPRX4ANO1ANO2MAPTPTGDR2

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