SCHEMBL11487284

SCHEMBL11487284

COc1cc(C2CCCCC2)ccc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE4B Q07343 8/20 0.50
PDE4A P27815 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
HSD17B10 Q99714 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
ACMSD Q8TDX5 2/20 0.44
QDPR P09417 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
KMO O15229 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL11719342 0.86 MEN1 (0.45) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL11477940 0.85 FFAR4 (0.48) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL11389386 0.81 ACMSD (0.58) KMT2APTGDR2ACMSDQDPRKMO
SCHEMBL20155928 0.79 PDE4A (0.47) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL11724509 0.79 ACMSD (0.57) KMT2AACMSDQDPRKMO
SCHEMBL28896136 0.78 ACMSD (0.59) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL10246888 0.78 HTR2A (0.50) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL27362435 0.78 ACMSD (0.44) PDE4BPDE4APDE4CPDE4DHSD17B10
SCHEMBL11480718 0.77 PDE4B (0.47) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL2969812 0.77 ACMSD (0.58) PDE4BPDE4APDE4CPDE4DACMSD

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
CN-1898222-A Substituted aryl cycloalkanol derivatives and methods of their use WYETH CORP (US) 2007-01-17 CN disclosed
CN-1897950-A Fused aryl and heteroaryl derivatives and methods of use thereof WYETH CORP (US) 2007-01-17 CN disclosed
US-4232039-A ANTIARTHRITIC, ANTIINFLAMMATORY, AND ANTIEDEMIC AGENTS SANDOZ LTD. (CH) 1980-11-04 US disclosed
US-4013690-A ORGANIC COMPOUNDS SANDOZ LTD. (CH) 1977-03-22 US disclosed