SCHEMBL9170095

SCHEMBL9170095

CC(C)(CSCc1ccccc1)C(=O)N[C@H](CSCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.49
▸ ACE P12821 3/20 0.47
▸ PPARG P37231 3/20 0.45
▸ PPARA Q07869 3/20 0.45
▸ PPARD Q03181 2/20 0.41
▸ CASP1 P29466 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP8 Q14790 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
SCHEMBL9167736 0.91 ACE (0.46) GLO1ACEPPARGPPARAPPARD
SCHEMBL9173321 0.88 METAP2 (0.46) ACEPPARGPPARAPPARD
SCHEMBL9170928 0.87 ACE (0.46) ACEPPARGPPARAPPARD
SCHEMBL9165661 0.85 ACE (0.60) ACEPPARGPPARAPPARD
SCHEMBL9171784 0.85 ACE (0.60) ACEPPARGPPARAPPARD
SCHEMBL9174024 0.84 CHRNB2 (0.45) ACEPPARGPPARA
SCHEMBL9169293 0.84 TLR2 (0.47) ACEPPARGPPARA
SCHEMBL9169284 0.84 ACE (0.43) ACEPPARGPPARA
SCHEMBL9164248 0.83 TLR2 (0.48) ACE
SCHEMBL9166218 0.83 TLR2 (0.48) ACE

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
EP-0455833-B1 AMINO ACID DERIVATIVE SANTEN PHARMACEUTICAL CO LTD (JP) 1995-04-19 — — EP disclosed
US-5214181-A Immunodeficiency and autoimmune disease treatment SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-05-25 — — US disclosed
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