SCHEMBL7757705

SCHEMBL7757705

COC(=O)C1CCc2cc(C)c(C)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A3 Q01959 1/20 0.38
CYP26A1 O43174 1/20 0.34
CYP24A1 Q07973 1/20 0.34
IDH1 O75874 1/20 0.33

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
SCHEMBL23460708 0.89 KDM4E (0.40) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL28939537 0.84 KDM4E (0.60) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL7755712 0.84 MEN1 (0.42) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL9620834 0.84 ACHE (0.49)
SCHEMBL38662922 0.82 ACHE (0.45) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL23461083 0.82 ACHE (0.45) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL10334858 0.80 ACHE (0.48) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL9620764 0.79 ACHE (0.51) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL346335 0.79 PIN1 (0.41)
SCHEMBL19900206 0.78 SRD5A1 (0.42) KDM4EALDH1A1MAPTHSD17B10SLC6A3

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
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed