SCHEMBL11278571

SCHEMBL11278571

O=C(CCC(=S)N[C@@H](CS)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL11285319 0.85 MAPT (0.52) NR4A2ALDH1A1GAACYP2C19MAPT
SCHEMBL11274788 0.84 ACE (0.53) ALDH1A1L3MBTL1CA1CA2POLB
SCHEMBL11267800 0.83 GAA (0.48) ALDH1A1GAA
SCHEMBL11283043 0.83 ALDH1A1 (0.54) NR4A2ALDH1A1GAACYP2C19MAPT
SCHEMBL11272222 0.80 FNTA (0.50) FNTAFNTBALDH1A1CA1CA2
SCHEMBL3507622 0.79 NR4A2 (0.49) NR4A2ALDH1A1GAACYP2C19MAPT
SCHEMBL3507620 0.79 NR4A2 (0.49) NR4A2ALDH1A1GAACYP2C19MAPT
SCHEMBL2323367 0.77 SIGMAR1 (0.54) NR4A2FNTAFNTBALDH1A1GAA
SCHEMBL3447634 0.76 CA2 (0.65) FNTAFNTBGAAMAPTSMN1; SMN2
SCHEMBL989155 0.76 CA2 (0.65) FNTAFNTBGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US disclosed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed