SCHEMBL7362177

SCHEMBL7362177

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ACE P12821 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FPR2 P25090 1/20 0.49
MME P08473 2/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
FAAH O00519 2/20 0.47
GPR34 Q9UPC5 1/20 0.47

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
SCHEMBL3103119 0.81 FPR2 (0.54) L3MBTL1ACENPSR1FPR2MME
Butane SCHEMBL7362173 0.81 L3MBTL1 (0.53) L3MBTL1ACENPSR1MMECPA1
SCHEMBL7277521 0.79 HPRT1 (0.50) L3MBTL1ACENPSR1FPR2MME
SCHEMBL7277515 0.79 HPRT1 (0.50) L3MBTL1ACENPSR1FPR2MME
SCHEMBL4182347 0.78 ACE (0.61) L3MBTL1ACENPSR1MMECPA1
SCHEMBL10076052 0.78 ACE (0.61) L3MBTL1ACENPSR1MMECPA1
SCHEMBL3704677 0.78 ACE (0.61) L3MBTL1ACENPSR1MMECPA1
SCHEMBL11793269 0.76 FAAH (0.64) L3MBTL1ACENPSR1MMECPA1
SCHEMBL265066 0.76 FAAH (0.64) L3MBTL1ACENPSR1MMECPA1
SCHEMBL987963 0.76 FAAH (0.64) L3MBTL1ACENPSR1MMECPA1

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
US-6287840-B1 PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE AXYS PHARMACEUTICALS, INC. 2001-09-11 US disclosed
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US disclosed
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed