SCHEMBL10713530

SCHEMBL10713530

CCC(CC)(C(=O)O)C(=O)OCCCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.56
TBXAS1 P24557 7/20 0.50
FKBP1A P62942 7/20 0.48
MTOR P42345 1/20 0.48
FKBP4 Q02790 1/20 0.48
FKBP5 Q13451 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10712569 0.85 LMNA (0.55) FKBP1ATDP1
SCHEMBL774152 0.85 FKBP1A (0.60) CHRNA7TBXAS1FKBP1AMTORFKBP4
SCHEMBL8741860 0.80 LMNA (0.58) FKBP1ATDP1
SCHEMBL2954088 0.78 CHRNA7 (0.63) CHRNA7TBXAS1FKBP1AL3MBTL1TDP1
SCHEMBL14168872 0.78 CHRNA7 (0.53) CHRNA7TBXAS1FKBP1AMTORFKBP4
SCHEMBL7057410 0.77 ALDH1A1 (0.48) TDP1
SCHEMBL7847350 0.77 HCAR2 (0.47) L3MBTL1TDP1
SCHEMBL774482 0.76 RIPK1 (0.54) CHRNA7TBXAS1FKBP1AMTORFKBP4
SCHEMBL10713534 0.76 CHRNA7 (0.54) CHRNA7TBXAS1FKBP1AMTORFKBP4
Butane SCHEMBL10713527 0.76 CHRNA7 (0.60) CHRNA7TBXAS1FKBP1AL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173041-B1 2-SUBSTITUTED-1,3-PROPYLIDENEDIPHOSPHONATE DERIVATIVES, THE PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1988-11-30 EP disclosed
US-4696920-A CARDIOVASCULAR DISORDERS SYMPHAR S.A. (CH) 1987-09-29 US disclosed
EP-0173041-A1 2-Substituted-1,3-propylidenediphosphonate derivatives, the process for their preparation and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1986-03-05 EP disclosed