SCHEMBL9682745

SCHEMBL9682745

CC(=O)SCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.55
ACE P12821 7/20 0.54
NAALAD2 Q9Y3Q0 1/20 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
ECE1 P42892 1/20 0.50
LMNA P02545 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
SCHEMBL9068710 0.95 MME (0.55) PAMACEMMECPA1ACE2
SCHEMBL9068920 0.87 LTA4H (0.52) PAMACEMMEECE1
SCHEMBL27521411 0.81 ACE (0.63) ACENAALAD2MMEL3MBTL1CPA1
SCHEMBL3818234 0.81 ACE (0.63) ACENAALAD2MMEL3MBTL1CPA1
SCHEMBL6293500 0.80 ALDH1A1 (0.64) ACENAALAD2MMEL3MBTL1CPA1
SCHEMBL995229 0.80 ALDH1A1 (0.64) ACENAALAD2MMEL3MBTL1CPA1
SCHEMBL995228 0.80 ALDH1A1 (0.64) ACENAALAD2MMEL3MBTL1CPA1
SCHEMBL4182347 0.80 ACE (0.61) ACENAALAD2MMEL3MBTL1CPA1
SCHEMBL10076052 0.80 ACE (0.61) ACENAALAD2MMEL3MBTL1CPA1
SCHEMBL3704677 0.80 ACE (0.61) ACENAALAD2MMEL3MBTL1CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470494-A1 Active site labelling of plasminogen HENRY FORD HEALTH SYSTEM, d/b/a HENRY FORD HOSPITAL (US) 1992-02-12 EP claimed
EP-0470494-A1 Active site labelling of plasminogen HENRY FORD HEALTH SYSTEM, d/b/a HENRY FORD HOSPITAL (US) 1992-02-12 EP disclosed