SCHEMBL13409401

SCHEMBL13409401

CCOc1cc(C(C)C)c2scc(S(C)(=O)=O)c2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ CDK2 P24941 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL13409407 0.89 ELANE (0.33) ELANEALDH1A1TSHRNPSR1
SCHEMBL13757313 0.82 CTSG (0.35) PTGS2P2RX3P2RX2ALDH1A1GCK
SCHEMBL13409400 0.80 ELANE (0.35) ELANEALDH1A1MAPT
SCHEMBL8274174 0.76 ALDH1A1 (0.35) ALDH1A1TSHRNPSR1MAPT
SCHEMBL8135271 0.75 RIPK2 (0.35) ALDH1A1
SCHEMBL8142266 0.74 RIPK2 (0.34) ALDH1A1MAPT
SCHEMBL13409397 0.69 MAPK1 (0.35) ELANEALDH1A1MAPT
SCHEMBL13409402 0.67 ADORA2A (0.40) ELANE
SCHEMBL13409404 0.67 MAPT (0.35) ALDH1A1MAPT
SCHEMBL13409389 0.64 MAPT (0.36) ELANEALDH1A1TSHRMAPT

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-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
Send feedback