SCHEMBL7674822

SCHEMBL7674822

CCCCOC(=O)N([C@@H](CC(=O)O)C(=O)O)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 4/20 0.49
MMP2 P08253 5/20 0.44
MMP9 P14780 3/20 0.44
MMEL1 Q495T6 1/20 0.39
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP13 P45452 2/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
ALOX5 P09917 2/20 0.38

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
SCHEMBL7674815 1.00 ADAMTS5 (0.49) ADAMTS5MMP2MMP9MMEL1MMP1
SCHEMBL7533987 0.69 MMP2 (0.42) ADAMTS5MMP2MMP9PPARGPPARA
SCHEMBL5033274 0.69 ADAMTS5 (0.44) ADAMTS5MMP2MMP9MMP1MMP3
SCHEMBL7303089 0.69 KEAP1 (0.35) MMP9MMP3MMP13PPARGPPARA
SCHEMBL7424410 0.69 MMP2 (0.42) ADAMTS5MMP2MMP9MMP1MMP3
SCHEMBL5033291 0.68 ADAMTS5 (0.43) ADAMTS5MMP2MMP9MMP1MMP3
SCHEMBL31346619 0.68 PPARA (0.45) ADAMTS5PPARGPPARA
SCHEMBL7738074 0.66 L3MBTL1 (0.53) POLB
SCHEMBL7738077 0.66 L3MBTL1 (0.53) POLB
SCHEMBL15393111 0.65 POLB (0.42) POLBPPARA

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
US-6410580-B1 ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES NOVARTIS AG (CH) 2002-06-25 US disclosed