SCHEMBL11189604

SCHEMBL11189604

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.51
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ FCER2 P06734 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ MME P08473 2/20 0.39
▸ ACE P12821 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ HSPA2 P54652 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11189623 1.00 ELANE (0.51) ELANERAB9AHPGDMAPTFCER2
SCHEMBL11187178 0.86 ELANE (0.51) ELANERAB9AHPGDMAPTADAM17
SCHEMBL11190192 0.86 ELANE (0.51) ELANERAB9AHPGDMAPTADAM17
SCHEMBL11188353 0.86 ELANE (0.55) ELANERAB9AHPGDMAPTADAM17
SCHEMBL11188356 0.86 ELANE (0.55) ELANERAB9AHPGDMAPTADAM17
SCHEMBL11189007 0.80 ELANE (0.59) ELANERAB9AHPGDMAPTKMT2A
SCHEMBL11189010 0.80 ELANE (0.59) ELANERAB9AHPGDMAPTKMT2A
SCHEMBL9630045 0.79 MAPT (0.52) RAB9AHPGDMAPTADAM17KMT2A
SCHEMBL9630054 0.79 MAPT (0.52) RAB9AHPGDMAPTADAM17KMT2A
SCHEMBL11385539 0.78 KMT2A (0.53) RAB9AHPGDMAPTADAM17KMT2A

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
Send feedback