SCHEMBL6346809

SCHEMBL6346809

COc1ccc(C2=CSC(C(C)C)C(=O)N2CC(=O)N[C@@H](Cc2ccccc2)C(O)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
CTSD P07339 3/20 0.36
FPR2 P25090 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
ADORA2A P29274 1/20 0.36
BACE1 P56817 3/20 0.35
PSMB8 P28062 2/20 0.35
CNR2 P34972 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6348393 0.92 POLB (0.38) BCHEBACE1ALDH1A1
SCHEMBL6358276 0.90 POLB (0.35) BCHECTSDBACE1ELANEALDH1A1
SCHEMBL6348272 0.86 CAPN1 (0.40) FPR2GPR139ADORA2APSMB8ALDH1A1
SCHEMBL6348278 0.86 CAPN1 (0.40) FPR2GPR139ADORA2APSMB8ALDH1A1
SCHEMBL6354395 0.82 POLB (0.38) BCHECTSDKMT2ABACE1ALDH1A1
SCHEMBL6349872 0.80 FPR2 (0.36) BCHEFPR2KMT2APPARGPPARA
SCHEMBL6350463 0.79 CA9 (0.41) KMT2AALDH1A1
SCHEMBL6349895 0.78 ALDH1A1 (0.41) KMT2APPARGALDH1A1
SCHEMBL6349893 0.78 ALDH1A1 (0.41) KMT2APPARGALDH1A1
SCHEMBL6347128 0.78 POLB (0.39) ALDH1A1

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
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed