SCHEMBL11033335

SCHEMBL11033335

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(=O)(O)CCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.58
CPA1 P15085 1/20 0.51
CPA2 P48052 1/20 0.51
CPA4 Q9UI42 1/20 0.51
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
ECE1 P42892 1/20 0.50

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
SCHEMBL14503213 0.94 MME (0.55) MMECPA1CPA2CPA4MMP2
SCHEMBL11031714 0.93 MME (0.56) MMECPA1CPA2CPA4ECE1
SCHEMBL11033973 0.92 MME (0.55) MMECPA1CPA2CPA4ECE1
SCHEMBL11032748 0.88 MME (0.60) MMEMMP2MMP7MMP9MMP12
SCHEMBL11032754 0.87 MME (0.54) MMEECE1
Monoethanolamine SCHEMBL11032722 0.87 MME (0.54) MMECPA1CPA2CPA4ECE1
SCHEMBL11032948 0.87 MME (0.54) MMEECE1
SCHEMBL11202543 0.87 MME (0.64) MMEMMP2MMP7MMP9MMP12
SCHEMBL11031934 0.86 MME (0.53) MMEECE1
SCHEMBL9069584 0.86 MME (0.63) MMEMMP2MMP7MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432972-A HYPOTENSIVE AGENTS, KANALGESICS, AND ANGIOTENSIN AND ENKEPHALIN INHIBITION E. R. SQUIBB & SONS, INC. (US) 1984-02-21 US disclosed