SCHEMBL8782013

SCHEMBL8782013

Cc1cc(Cl)ccc1OCc1ccccc1C(=O)Cl

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.60
MAPT P10636 2/20 0.54
ANO1 Q5XXA6 2/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.52
ANO2 Q9NQ90 1/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8783048 0.88 MRGPRX4 (0.50) MRGPRX4MAPTFFAR1FFAR4TP53
SCHEMBL8783051 0.86 MRGPRX4 (0.60) MRGPRX4PTGDR2MEN1KMT2ATP53
SCHEMBL8783044 0.86 MRGPRX4 (0.80) MRGPRX4TP53HTT
SCHEMBL8782203 0.85 MRGPRX4 (0.52) MRGPRX4MAPTPTGDR2FFAR1FFAR4
SCHEMBL8782034 0.85 MRGPRX4 (0.55) MRGPRX4MAPTANO1PTGDR2ANO2
SCHEMBL7965281 0.84 TP53 (0.54) MRGPRX4PTGDR2MEN1KMT2ATP53
SCHEMBL8782968 0.84 FFAR4 (0.54) MRGPRX4FFAR1FFAR4TP53HTT
SCHEMBL8590480 0.84 SCN4A (0.55) MRGPRX4MAPTANO1PTGDR2ANO2
SCHEMBL8617226 0.83 HIF1A (0.53) MRGPRX4MAPTANO1PTGDR2ANO2
SCHEMBL8617228 0.83 HIF1A (0.53) MRGPRX4MAPTANO1PTGDR2ANO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718279-B1 Process for the preparation of o-substituted benzoylcyanides BASF AG (DE) 1997-09-24 EP disclosed
EP-0718279-A1 Process for the preparation of o-substituted benzoylcyanides BASF AKTIENGESELLSCHAFT (DE) 1996-06-26 EP disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0493711-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1992-07-08 EP disclosed