SCHEMBL7385357

SCHEMBL7385357

CCC(C(=O)Oc1ccc(S(C)(=O)=O)cc1)c1cccn1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
NPY2R P49146 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7387231 0.82 NPC1 (0.32) LMNA
Pivalate SCHEMBL7874022 0.79 MEN1 (0.34) LMNA
SCHEMBL7870692 0.76 MEN1 (0.31) LMNA
SCHEMBL7376958 0.76 KMT2A (0.40) LMNAALDH1A1
SCHEMBL7345230 0.74 AKR1C3 (0.46) PTGS2
SCHEMBL7379152 0.72 MAOB (0.41) LMNAALDH1A1
SCHEMBL7385350 0.69 GAA (0.38) LMNAALDH1A1
SCHEMBL8526963 0.66 PTGS2 (0.43) PTGS2LMNA
SCHEMBL1930874 0.66 KMT2A (0.58) PTGS2LMNAALDH1A1
SCHEMBL29037488 0.65 PTGS2 (0.42) PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484949-A2 Ester inhibitors CORTECH, INC. (US) 1992-05-13 EP claimed
US-5314910-A 2-Heteroaromatic alkanoate esters useful as inhibitors of human leukocyte or neutrophil elastase CORTECH INC. (US) 1994-05-24 US disclosed
US-5240956-A Phenyl 2-heteroaromatic-alkanoates, elastase inhibitors CORTECH, INC. (US) 1993-08-31 US disclosed
EP-0484949-A2 Ester inhibitors CORTECH, INC. (US) 1992-05-13 EP disclosed