SCHEMBL29337392

SCHEMBL29337392

CCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.54
FAAH O00519 2/20 0.54
MME P08473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.51
ECE1 P42892 1/20 0.50
PSMB5 P28074 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL27419517 0.91 MME (0.52) ACEFAAHMMECPA1ACE2
SCHEMBL24823292 0.90 ALDH1A1 (0.54) L3MBTL1PSMB5
SCHEMBL3704677 0.89 ACE (0.61) ACEFAAHMMEL3MBTL1CPA1
SCHEMBL10076052 0.89 ACE (0.61) ACEFAAHMMEL3MBTL1CPA1
SCHEMBL4182347 0.89 ACE (0.61) ACEFAAHMMEL3MBTL1CPA1
SCHEMBL27101824 0.88 CTSS (0.53) L3MBTL1PSMB5
SCHEMBL20646451 0.87 FCER2 (0.49) PSMB5
SCHEMBL24823298 0.87 PSMB5 (0.50) ACEFAAHMMECPA1ACE2
SCHEMBL23142825 0.87 L3MBTL1 (0.55) ACEFAAHMMEL3MBTL1NPSR1
SCHEMBL22768848 0.87 MME (0.54) ACEMMENPSR1LMNAECE1

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
WO-2024150132-A1 LIGAND-DRUG CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2024-07-18 WO disclosed