SCHEMBL11325012

SCHEMBL11325012

CC(C)C[C@H](NC(=O)C(CS)CCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.56
CPB2 Q96IY4 2/20 0.54
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE P12821 1/20 0.44
FOLH1 Q04609 2/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL2871612 0.85 MME (0.68) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL11331601 0.84 CPB2 (0.59) MMECPB2ACE
SCHEMBL9067110 0.83 MME (0.67) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL11333911 0.82 CPB2 (0.57) MMECPB2ACEFOLH1
SCHEMBL11333671 0.82 MME (0.50) MME
SCHEMBL11321753 0.81 CPB2 (0.55) MMECPB2ALDH1A1MEN1LMNA
SCHEMBL11325107 0.81 FNTA (0.53) CPB2
SCHEMBL11433538 0.80 MME (0.63) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL7431713 0.80 FOLH1 (0.41) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL7431705 0.80 FOLH1 (0.41) MMEALDH1A1MEN1LMNAKMT2A

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-4154960-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4154946-A Amino mercapto substituted acylamino acids 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