SCHEMBL5236950

SCHEMBL5236950

CCC(C)C(NS(=O)(=O)CCOCc1ccccc1)P(=O)(O)CC(C(=O)O)c1cccc(CN)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2355109 0.93 ADAMTS4 (0.36) MMEADAMTS4ANPEPERAP1HTT
SCHEMBL23752491 0.81 ANPEP (0.41) ADAMTS4ANPEPERAP1
SCHEMBL2353264 0.81 ANPEP (0.41) ADAMTS4ANPEPERAP1
SCHEMBL23752492 0.81 ANPEP (0.41) ADAMTS4ANPEPERAP1
SCHEMBL2353188 0.80 ADAMTS4 (0.40) ADAMTS4ANPEPERAP1
SCHEMBL2350989 0.79 CPB2 (0.42) ADAMTS4ANPEPERAP1
SCHEMBL2357292 0.79 CPB2 (0.42) ADAMTS4ANPEPERAP1
SCHEMBL6130893 0.79 CPB2 (0.42) ADAMTS4ANPEPERAP1
SCHEMBL2356327 0.79 CPB2 (0.42) ADAMTS4ANPEPERAP1
SCHEMBL2349012 0.79 CPB2 (0.42) ADAMTS4ANPEPERAP1

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-1817041-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-15 — — EP disclosed
WO-2006041808-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-20 — — WO disclosed
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