SCHEMBL11188356

SCHEMBL11188356

CC(SC(=O)c1cccs1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.55
▸ MAPT P10636 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ACE P12821 2/20 0.46
▸ MME P08473 4/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ PGGT1B P53609 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11188353 1.00 ELANE (0.55) ELANEMAPTADAM17KMT2AATM
SCHEMBL11189595 0.87 ELANE (0.45) ELANEMAPTADAM17KMT2AATM
SCHEMBL11190192 0.86 ELANE (0.51) ELANEMAPTADAM17KMT2AATM
SCHEMBL11187178 0.86 ELANE (0.51) ELANEMAPTADAM17KMT2AATM
SCHEMBL11189623 0.86 ELANE (0.51) ELANEMAPTADAM17KMT2AATM
SCHEMBL11189604 0.86 ELANE (0.51) ELANEMAPTADAM17KMT2AATM
SCHEMBL11189010 0.84 ELANE (0.59) ELANEMAPTKMT2AMMERAB9A
SCHEMBL11189007 0.84 ELANE (0.59) ELANEMAPTKMT2AMMERAB9A
SCHEMBL6414260 0.80 ELANE (0.41) ELANEMAPTADAM17KMT2AATM
SCHEMBL7314482 0.79 ELANE (0.56) ELANEMAPTADAM17KMT2AATM

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-4405638-A ANTITUSSIVE AGENTS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 1983-09-20 — — US claimed
US-4405638-A ANTITUSSIVE AGENTS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 1983-09-20 — — US disclosed
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