SCHEMBL11279985

SCHEMBL11279985

O=C(CCS)N[C@@H](CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.48
MME P08473 7/20 0.47
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GNPAT O15228 1/20 0.40
FOLH1 Q04609 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
ACE P12821 1/20 0.37

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
SCHEMBL929193 0.85 KDM4E (0.57) FNTAFNTBKDM4EMAPTTHRB
SCHEMBL928640 0.83 GNPAT (0.47) FNTAFNTBKDM4EMAPTTHRB
SCHEMBL16314008 0.83 TGFBR1 (0.52) TGFBR1MMEFNTAFNTBGNPAT
SCHEMBL26964341 0.83 TGFBR1 (0.52) TGFBR1MMEFNTAFNTBKDM4E
SCHEMBL27125557 0.83 TGFBR1 (0.52) TGFBR1MMEFNTAFNTBKDM4E
SCHEMBL13625379 0.82 GNPAT (0.42) TGFBR1FNTAFNTBKDM4EMAPT
SCHEMBL11279926 0.82 CA2 (0.55) MMEFNTAFNTBKDM4EMAPT
SCHEMBL5499123 0.81 ENPEP (0.37) MMEFNTAFNTBKDM4EMAPT
SCHEMBL5499119 0.81 ENPEP (0.37) MMEFNTAFNTBKDM4EMAPT
SCHEMBL8418867 0.81 NOD1 (0.56) TGFBR1MMEFNTAFNTBGNPAT

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-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140786-A 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