SCHEMBL9802829

SCHEMBL9802829

COC(=O)C(=C(C)C)c1ccccc1OCc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.52
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
MAOB P27338 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PARP1 P09874 1/20 0.43
AKR1C1 Q04828 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SLC1A5 Q15758 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 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
SCHEMBL9776788 0.85 SGMS2 (0.55) SGMS2CDK4CCND1MAOBTRPM8
SCHEMBL9517991 0.80 HIF1A (0.58) SGMS2CDK4CCND1MAOBTRPM8
SCHEMBL5839145 0.79 ALDH1A1 (0.68) SGMS2CDK4CCND1MAOBTRPM8
SCHEMBL9518005 0.78 SGMS2 (0.54) SGMS2CDK4CCND1MAOBTRPM8
SCHEMBL8848536 0.77 RXRA (0.47) SGMS2CDK4CCND1PTGDR2ALDH1A1
SCHEMBL29787364 0.77 RXRA (0.47) SGMS2CDK4CCND1PTGDR2ALDH1A1
SCHEMBL7811118 0.74 NPSR1 (0.46) SGMS2CDK4CCND1PTGDR2TP53
SCHEMBL9270737 0.74 NPSR1 (0.46) SGMS2CDK4CCND1PTGDR2TP53
SCHEMBL9822415 0.73 SGMS2 (0.49) SGMS2CDK4CCND1MAOBTRPM8
SCHEMBL9518002 0.73 SGMS2 (0.49) SGMS2CDK4CCND1MAOBTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342459-B1 ACRYLIC ESTERS AND FUNGICIDES CONTAINING SAME BASF Aktiengesellschaft (DE) 1991-03-20 EP disclosed