SCHEMBL9518002

SCHEMBL9518002

CON=C(CC(=O)OC)c1ccccc1OCc1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.49
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAOB P27338 1/20 0.41
PARP1 P09874 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HIF1A Q16665 3/20 0.41
SLC1A5 Q15758 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9822415 1.00 SGMS2 (0.49) SGMS2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6058428 0.91 MAPT (0.45) SGMS2PTGDR2HIF1AMAPT
SCHEMBL9518005 0.83 SGMS2 (0.54) SGMS2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9517991 0.81 HIF1A (0.58) SGMS2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28414701 0.81 PTGDR2 (0.46) SGMS2PTGDR2ALDH1A1HIF1AMAPT
SCHEMBL12948109 0.78 SGMS2 (0.42) SGMS2PTGDR2ALDH1A1MAPT
SCHEMBL9776788 0.77 SGMS2 (0.55) SGMS2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5839145 0.76 ALDH1A1 (0.68) SGMS2CDK4CCND1TRPM8PTGDR2
SCHEMBL8590309 0.75 SGMS2 (0.43) SGMS2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8590311 0.75 SGMS2 (0.43) SGMS2HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3128349-A None JP disclosed
EP-0407891-B1 NOVEL 3-METHOXY-IMINO-PROPINOIC ACID ESTERS AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
US-5112862-A Agricultural use BASF AKTIENGESELLSCHAFT (DE) 1992-05-12 US disclosed
JP-H03128349-A NEW 3-METHOXYIMINOPROPIONIC ACID ESTER AND FUNGICIDE CONTAINING IT BASF AG 1991-05-31 JP disclosed
EP-0407891-A1 Novel 3-methoxy-imino-propinoic acid esters and fungicides containing them BASF Aktiengesellschaft (DE) 1991-01-16 EP disclosed