SCHEMBL5683174

SCHEMBL5683174

N[C@@H](CS)CSCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.57
ACE P12821 2/20 0.46
EPHX1 P07099 1/20 0.43
LTA4H P09960 1/20 0.42
METAP2 P50579 1/20 0.40

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
Hydrochloric Acid SCHEMBL5681153 0.98 ANPEP (0.55) ANPEPACEEPHX1LTA4HMETAP2
Hydrochloric Acid SCHEMBL7619885 0.98 ANPEP (0.55) ANPEPACEEPHX1LTA4HMETAP2
SCHEMBL13730908 0.82 EPHX1 (0.61) ANPEPEPHX1
SCHEMBL21065978 0.82 EPHX1 (0.61) ANPEPEPHX1
SCHEMBL5682810 0.81 ANPEP (0.53) ANPEPEPHX1LTA4H
SCHEMBL7114970 0.81 EPHX1 (0.43) ACEEPHX1METAP2
SCHEMBL2549520 0.81 EPHX1 (0.43) ACEEPHX1METAP2
SCHEMBL1168400 0.81 EPHX1 (0.43) ACEEPHX1METAP2
Hydrochloric Acid SCHEMBL5680828 0.80 ANPEP (0.52) ANPEPEPHX1LTA4H
Hydrochloric Acid SCHEMBL5680823 0.80 ANPEP (0.52) ANPEPEPHX1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP claimed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP claimed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP claimed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO claimed
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP disclosed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP disclosed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP disclosed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO disclosed