SCHEMBL9518005

SCHEMBL9518005

COC(=O)CC(=O)c1ccccc1OCc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.54
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PARP1 P09874 1/20 0.45
AKR1C1 Q04828 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
NPC1 O15118 1/20 0.44
SLC1A5 Q15758 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43

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 0.83 SGMS2 (0.49) SGMS2CDK4CCND1TRPM8ALDH1A1
SCHEMBL9518002 0.83 SGMS2 (0.49) SGMS2CDK4CCND1TRPM8ALDH1A1
SCHEMBL9776788 0.82 SGMS2 (0.55) SGMS2CDK4CCND1TRPM8ALDH1A1
SCHEMBL7531833 0.81 SGMS2 (0.58) SGMS2ALDH1A1NPC1MEN1KMT2A
SCHEMBL5839145 0.81 ALDH1A1 (0.68) SGMS2CDK4CCND1TRPM8ALDH1A1
SCHEMBL3175398 0.80 ABCB1 (0.48) ALDH1A1NPC1IDO1TDO2MEN1
SCHEMBL3166061 0.78 ERCC5 (0.62) NPC1IDO1TDO2MEN1KMT2A
SCHEMBL9802829 0.78 SGMS2 (0.52) SGMS2CDK4CCND1TRPM8ALDH1A1
SCHEMBL447573 0.77 NPC1 (0.70) ALDH1A1NPC1IDO1TDO2KMT2A
SCHEMBL6058428 0.76 MAPT (0.45) SGMS2PTGDR2TP53HTTMAPT

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-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
EP-0407891-A1 Novel 3-methoxy-imino-propinoic acid esters and fungicides containing them BASF Aktiengesellschaft (DE) 1991-01-16 EP disclosed