SCHEMBL11397111

SCHEMBL11397111

COC(=O)CCC1(CCC(=O)OC)C(=O)c2ccccc2OC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 1/20 0.47
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.36
MAOB P27338 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CYP19A1 P11511 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11378914 0.84 DNMT3B (0.47) DNMT3BKMT2ACYP3A4MAOBKDM4E
SCHEMBL11384224 0.80 KMT2A (0.38) KMT2AMEN1TSHRMAPT
SCHEMBL11389301 0.77 ALDH1A1 (0.36) KMT2AMEN1CYP3A4ALOX15TSHR
SCHEMBL11386038 0.77 DNMT3B (0.47) DNMT3BKMT2AMEN1MAOBKDM4E
SCHEMBL11391280 0.75 DNMT3B (0.48) DNMT3BKMT2AMEN1CYP3A4MAOB
SCHEMBL25201529 0.71 DNMT3B (0.52) DNMT3BKMT2ACYP3A4MAOBKDM4E
SCHEMBL9056733 0.71 DNMT3B (0.56) DNMT3BMAOBKDM4EADORA3AR
SCHEMBL9056735 0.71 DNMT3B (0.56) DNMT3BMAOBKDM4EADORA3AR
SCHEMBL11393327 0.71 RET (0.41) KMT2AMEN1CYP3A4ALOX15TSHR
SCHEMBL5313705 0.70 DNMT3B (0.57) DNMT3BCYP3A4TSHRMAOBKDM4E

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
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed