SCHEMBL7776559

SCHEMBL7776559

COC(=O)C(=O)c1ccc2ccccc2c1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
KDM4A O75164 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
ABCG2 Q9UNQ0 4/20 0.50
CYP1B1 Q16678 3/20 0.50
CYP1A1 P04798 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL244541 0.83 LDHA (0.62) LDHAKMT2AMEN1KDM4ACTDSP1
SCHEMBL7640335 0.81 PLK1 (0.58) KMT2AMEN1GAAKDM4ELMNA
SCHEMBL7775101 0.80 LDHA (0.51) LDHAKMT2AMEN1KDM4ACTDSP1
SCHEMBL9656086 0.79 LDHA (0.72) LDHAKMT2AMEN1KDM4ACTDSP1
SCHEMBL29390177 0.77 LDHA (0.69) LDHAKMT2AMEN1KDM4ACTDSP1
SCHEMBL431650 0.77 LDHA (0.69) LDHAKMT2AMEN1KDM4ACTDSP1
SCHEMBL8599970 0.77 ABCG2 (0.50) KMT2AMEN1ABCG2GAAKDM4E
SCHEMBL27623522 0.76 LDHA (0.74) LDHAKMT2AMEN1KDM4ACTDSP1
SCHEMBL7192236 0.76 PLK1 (0.66) LDHAKMT2AMEN1KDM4ACTDSP1
SCHEMBL1600050 0.76 IDO1 (0.46) KMT2AMEN1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647631-B1 Naphthylether, processes for their use, agents containing them and their use as fungicides BASF AG (DE) 2001-08-16 EP disclosed
US-5602181-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0647631-A1 Naphthylether, processes for their use, agents containing them and their use as fungicides BASF Aktiengesellschaft (DE) 1995-04-12 EP disclosed
EP-0385357-B1 ORTHO-SUBSTITUTED 1-NAPHTHYL ETHERS, AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1992-04-29 EP disclosed
US-5057537-A Use on foilage, soils BASF AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0385357-A1 Ortho-substituted 1-naphthyl ethers, and fungicides containing them BASF Aktiengesellschaft (DE) 1990-09-05 EP disclosed