SCHEMBL11189595

SCHEMBL11189595

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.45
▸ MAPT P10636 1/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ ACE P12821 2/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL11188356 0.87 ELANE (0.55) ELANEMAPTADAM17KMT2AATM
SCHEMBL11188353 0.87 ELANE (0.55) ELANEMAPTADAM17KMT2AATM
SCHEMBL7314482 0.77 ELANE (0.56) ELANEMAPTADAM17KMT2AATM
SCHEMBL11386076 0.74 RAB9A (0.54) KMT2ARAB9AHPGDALDH1A1NPC1
SCHEMBL9705400 0.74 RAB9A (0.54) KMT2ARAB9AHPGDALDH1A1NPC1
SCHEMBL9705401 0.74 RAB9A (0.54) KMT2ARAB9AHPGDALDH1A1NPC1
SCHEMBL20122454 0.74 MAPT (0.45) MAPTADAM17KMT2AATMRAB9A
SCHEMBL11189010 0.74 ELANE (0.59) ELANEMAPTKMT2ARAB9AHPGD
SCHEMBL11189007 0.74 ELANE (0.59) ELANEMAPTKMT2ARAB9AHPGD
SCHEMBL11187178 0.74 ELANE (0.51) 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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