SCHEMBL9056735

SCHEMBL9056735

COC1(C)C(=O)c2ccccc2OC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 10/20 0.56
MAOB P27338 3/20 0.42
AR P10275 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP19A1 P11511 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL9056733 1.00 DNMT3B (0.56) DNMT3BMAOBARKDM4EADORA3
SCHEMBL25201529 0.77 DNMT3B (0.52) DNMT3BMAOBARKDM4EADORA3
SCHEMBL5313705 0.75 DNMT3B (0.57) DNMT3BMAOBARKDM4EADORA3
SCHEMBL7120359 0.72 MAPT (0.52) DNMT3BMAOBARCYP19A1MAPT
SCHEMBL11397111 0.71 DNMT3B (0.47) DNMT3BMAOBARKDM4EADORA3
SCHEMBL2009150 0.71 MAOB (0.50) DNMT3BMAOBARKDM4EADORA3
SCHEMBL30300555 0.71 MAOB (0.50) DNMT3BMAOBARKDM4EADORA3
SCHEMBL2009148 0.71 MAOB (0.50) DNMT3BMAOBARKDM4EADORA3
SCHEMBL29356678 0.71 MAOB (0.50) DNMT3BMAOBARKDM4EADORA3
Hydrochloric Acid SCHEMBL11091455 0.69 MEN1 (0.46) DNMT3BMAOBARKDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8157465-A None JP disclosed
JP-H08157465-A FLAVANONOL ETHER AND HAIR TONIC OR HAIR-GROWING AGENT CONTAINING THE SAME KAO CORP 1996-06-18 JP disclosed