SCHEMBL9475783

SCHEMBL9475783

CC1=C(C(=O)O)C(c2cccc(OCc3ccccc3)c2)N(C(=O)O)C(=S)N1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.54
KIF11 P52732 2/20 0.51
ALDH1A1 P00352 4/20 0.47
CACNA1F O60840 6/20 0.46
CACNA1D Q01668 6/20 0.46
CACNA1S Q13698 6/20 0.46
CACNA1C Q13936 6/20 0.46
NR4A2 P43354 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE1C Q14123 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL9475589 0.85 KIF11 (0.53) LMNAKIF11ALDH1A1CACNA1FCACNA1D
SCHEMBL9475155 0.80 ALDH1A1 (0.50) KIF11ALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9475264 0.80 POLB (0.53) POLBALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9476049 0.78 CACNA1F (0.64) LMNAKIF11ALDH1A1CACNA1FCACNA1D
SCHEMBL9475124 0.75 CACNA1F (0.66) POLBKIF11ALDH1A1CACNA1FCACNA1D
SCHEMBL9476011 0.75 ALDH1A1 (0.46) KIF11ALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9475039 0.74 CACNA1F (0.67) LMNAALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL11002932 0.74 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL9475138 0.73 ALDH1A1 (0.53) LMNAPOLBKIF11ALDH1A1CACNA1F
SCHEMBL9475968 0.71 CACNA1F (0.62) LMNAALDH1A1CACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed