SCHEMBL7303089

SCHEMBL7303089

CCCCOC(=O)N([C@@H](Cc1c[nH]cn1)C(=O)O)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.35
KMT2A Q03164 3/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
FNTA P49354 1/20 0.34
PGGT1B P53609 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
NFE2L2 Q16236 5/20 0.33
GAA P10253 2/20 0.33
MMP3 P08254 1/20 0.33
PPARG P37231 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL29908045 0.86 C5AR1 (0.35) KEAP1KMT2AMMP9NFE2L2PPARG
SCHEMBL28836238 0.86 C5AR1 (0.35) KEAP1KMT2AMMP9NFE2L2PPARG
SCHEMBL28836284 0.85 LMNA (0.41) KEAP1MMP9NFE2L2MMP3
SCHEMBL29908082 0.85 LMNA (0.41) KEAP1MMP9NFE2L2MMP3
SCHEMBL28952548 0.85 ADAMTS5 (0.34) KEAP1KMT2ANFE2L2ALDH1A1TSHR
SCHEMBL29908090 0.85 ADAMTS5 (0.34) KEAP1KMT2ANFE2L2ALDH1A1TSHR
SCHEMBL7356253 0.85 F2 (0.38) KEAP1KMT2AMMP13NFE2L2ALDH1A1
SCHEMBL9729728 0.85 F2 (0.38) KEAP1KMT2AMMP13NFE2L2ALDH1A1
SCHEMBL28836306 0.81 MDM2 (0.38) KEAP1KMT2ANFE2L2
SCHEMBL29907979 0.81 MDM2 (0.38) KEAP1KMT2ANFE2L2

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
WO-1990002137-A1 RENIN INHIBITORY PEPTIDES CONTAINING SULEPTANIC ACID OR DERIVATIVES THEREOF THE UPJOHN COMPANY (US) 1990-03-08 WO disclosed
EP-0355065-A1 Renin inhibitory peptides containing suleptanic acid or derivatives thereof THE UPJOHN COMPANY (US) 1990-02-21 EP disclosed