SCHEMBL1963

SCHEMBL1963

CCOC(=O)C(C#N)(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
PKM P14618 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL28279667 0.88 MEN1 (0.49) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL15451360 0.87 MEN1 (0.43) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL8399191 0.85 MEN1 (0.48) ALDH1A1MEN1KMT2ATSHRCYP4F2
Hydrochloric Acid SCHEMBL31131863 0.84 MEN1 (0.45) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL7722774 0.83 MEN1 (0.52) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL14016347 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL1026522 0.80 MEN1 (0.44) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL2410161 0.80 MMP8 (0.49) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL18290151 0.80 MEN1 (0.68) ALDH1A1MEN1KMT2ATSHRCYP4F2
SCHEMBL7709450 0.80 MEN1 (0.49) ALDH1A1MEN1KMT2ATSHRCYP4F2

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-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed