SCHEMBL11325221

SCHEMBL11325221

NCCCC(CS)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.59
MME P08473 5/20 0.50
ALDH1A1 P00352 3/20 0.50
ACE P12821 3/20 0.50
MAPT P10636 2/20 0.50
ECE1 P42892 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
NPEPPS P55786 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
RNPEP Q9H4A4 1/20 0.39
CPA1 P15085 1/20 0.38

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
SCHEMBL2871907 0.81 MME (0.62) MMEALDH1A1ACEMAPTECE1
SCHEMBL27182738 0.77 GNAI3 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2117112 0.77 GNAI3 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2117109 0.77 GNAI3 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL7441128 0.76 CPB2 (0.37) CPB2MMEALDH1A1ACEMAPT
SCHEMBL7441124 0.76 CPB2 (0.37) CPB2MMEALDH1A1ACEMAPT
SCHEMBL11329932 0.76 CPB2 (0.57) CPB2MMEALDH1A1ACEMAPT
SCHEMBL11433395 0.76 MME (0.57) MMEALDH1A1ACEMAPTECE1
SCHEMBL11507369 0.75 CPB2 (1.00) CPB2RNPEPCPN1FOLH1
SCHEMBL11333911 0.74 CPB2 (0.57) CPB2MMEACEFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4284779-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US disclosed
US-4284780-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US disclosed
US-4179434-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4177277-A INHIBITION OF ANGIOTENSIN-CONVERTING ENZYME E. R. SQUIBB & SONS, INC. (US) 1979-12-04 US disclosed
US-4165320-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-08-21 US disclosed
US-4156786-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-29 US disclosed
US-4154946-A Amino mercapto substituted acylamino acids E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4154960-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4146611-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 US disclosed
US-4129571-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-12 US disclosed
US-4113715-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-09-12 US disclosed