SCHEMBL7753041

SCHEMBL7753041

COC(=O)C1CCc2c(C)cc(C)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
UGT2B17 O75795 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
TYMS P04818 1/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7220081 0.86 MAPT (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL4875356 0.80 MAPT (0.51) SMN1; SMN2MEN1KMT2ALMNAUGT2B17
SCHEMBL23461083 0.77 ACHE (0.45) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL38662922 0.77 ACHE (0.45) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL7757705 0.77 KDM4E (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15700136 0.74 IDH1 (0.35) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL23462290 0.72 ADRA1D (0.43) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL23460708 0.72 KDM4E (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9176753 0.72 UGT2B17 (0.38) SMN1; SMN2MEN1KMT2ALMNAUGT2B17
SCHEMBL14799640 0.70 CYP11B1 (0.33) LMNAMAPTKDM4EHSD17B10POLB

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