SCHEMBL27477804

SCHEMBL27477804

CC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.53
CTSB P07858 6/20 0.53
CTSV O60911 6/20 0.53
CTSS P25774 6/20 0.53
CTSK P43235 6/20 0.53
FPR2 P25090 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.50
FOLH1 Q04609 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PNMT P11086 1/20 0.49
GPR34 Q9UPC5 2/20 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
SCHEMBL27552211 1.00 CTSL (0.53) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25045736 0.87 CTSL (0.52) CTSLCTSBCTSVCTSSCTSK
SCHEMBL30082819 0.86 TACR1 (0.51) CTSLCTSBCTSVCTSSCTSK
SCHEMBL29981912 0.85 FOLH1 (0.52) CTSLCTSBCTSVCTSSCTSK
SCHEMBL31369749 0.85 CTSL (0.52) CTSLCTSBCTSVCTSSCTSK
SCHEMBL13811865 0.85 L3MBTL1 (0.51) CTSSCTSKFPR2LMNAFOLH1
SCHEMBL805207 0.85 CTSL (0.52) CTSLCTSBCTSVCTSSCTSK
SCHEMBL29539732 0.85 CTSL (0.52) CTSLCTSBCTSVCTSSCTSK
SCHEMBL4404729 0.85 L3MBTL1 (0.51) CTSSCTSKFPR2LMNAFOLH1
SCHEMBL16287362 0.85 CTSL (0.52) CTSLCTSBCTSVCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1160368-C Endothelin antegon 中国人民解放军军事医学科学院毒物药 2004-08-04 CN disclosed
CN-1155612-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1155611-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1330077-A Endothelin antegon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
CN-1330076-A Endothelin antagon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed