SCHEMBL20677235

SCHEMBL20677235

C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.56
▸ CPB2 Q96IY4 1/20 0.56
▸ ECE1 P42892 2/20 0.54
▸ ACE P12821 1/20 0.53
▸ MME P08473 1/20 0.53
▸ SIRT2 Q8IXJ6 2/20 0.52
▸ SIRT1 Q96EB6 2/20 0.52
▸ SIRT3 Q9NTG7 2/20 0.52
▸ ITGB3 P05106 4/20 0.51
▸ ITGA2B P08514 4/20 0.51
▸ CTSL P07711 2/20 0.51
▸ TLR2 O60603 2/20 0.51
▸ PSMB1 P20618 1/20 0.49
▸ CTSS P25774 1/20 0.48
▸ MMP3 P08254 1/20 0.48

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
SCHEMBL31235811 0.90 CPB1 (0.59) CPB1CPB2ECE1ACEMME
SCHEMBL29387284 0.88 CPB1 (0.55) CPB1CPB2ECE1ACESIRT2
SCHEMBL29576990 0.88 ECE1 (0.63) CPB1CPB2ECE1ACEMME
SCHEMBL20263591 0.88 MME (0.59) ECE1MMEPSMB1
SCHEMBL20677213 0.88 MME (0.59) ECE1MMEPSMB1
SCHEMBL24992811 0.88 MME (0.59) ECE1MMEPSMB1
SCHEMBL19384748 0.88 MME (0.59) ECE1MMEPSMB1
SCHEMBL14371944 0.88 MME (0.59) ECE1MMEPSMB1
SCHEMBL28819863 0.87 MME (0.60) ECE1MMEPSMB1
SCHEMBL28645693 0.87 MME (0.60) ECE1MMEPSMB1

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
EP-3432934-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 — — EP disclosed
Send feedback