SCHEMBL11325753

SCHEMBL11325753

COC(=O)Cc1c(C(=O)OC)oc2c(C)cc(Cl)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 11/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 5/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 4/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 1/20 0.36
GLA P06280 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36

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
SCHEMBL11311429 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL11328049 0.80 KDM4E (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL11325784 0.78 MCL1 (0.39) SMN1; SMN2KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL11323531 0.77 KDM4E (0.50) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL11320527 0.76 KDM4E (0.40) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL11309273 0.73 RAB9A (0.49) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL11321943 0.73 KDM4E (0.47) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL13527344 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL11319581 0.72 MAOA (0.48) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL11313590 0.72 NQO1 (0.45) ALDH1A1SMN1; SMN2GAAMAPTKMT2A

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
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed