SCHEMBL13902855

SCHEMBL13902855

CCOC(=O)[C@@H](CCc1ccccc1)OS(=O)(=O)c1ccc(NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ACE P12821 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
LMNA P02545 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL6507266 0.83 KMT2A (0.47) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL5080014 0.83 KMT2A (0.47) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL7441323 0.80 LMNA (0.51) CA1CA2ALDH1A1LMNAPLAU
SCHEMBL4224537 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MMP8ACEMEN1MAPT
SCHEMBL9618581 0.79 LMNA (0.43) SMN1; SMN2TSHRALDH1A1ACELMNA
SCHEMBL7721713 0.78 SMN1; SMN2 (0.49) SMN1; SMN2TSHRMMP8ACELMNA
SCHEMBL7722450 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MMP8ACELMNAMEN1
SCHEMBL605143 0.77 ALDH1A1 (0.51) CA12CA9ALDH1A1LMNAPLAU
SCHEMBL4142757 0.76 CYP24A1 (0.49) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL1858577 0.76 SMN1; SMN2 (0.46) SMN1; SMN2MMP8ACEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891014-B1 IMPROVED PROCESS FOR CRYSTALLIZATION OF BENAZEPRIL HYDROCHLORIDE LUPIN LTD (IN) 2009-03-11 EP disclosed