SCHEMBL9169284

SCHEMBL9169284

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.43
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ TACR3 P29371 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GRIA1 P42261 1/20 0.38

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
SCHEMBL9170928 0.96 ACE (0.46) ACEPPARGPPARAALDH1A1GRIA1
SCHEMBL9166218 0.91 TLR2 (0.48) ACEGRIA1
SCHEMBL9164248 0.91 TLR2 (0.48) ACEGRIA1
SCHEMBL9169293 0.90 TLR2 (0.47) ACEPPARGPPARAGRIA1
SCHEMBL9174024 0.88 CHRNB2 (0.45) ACEPPARGPPARAGRIA1
SCHEMBL9170095 0.84 GLO1 (0.49) ACEPPARGPPARA
SCHEMBL9167736 0.82 ACE (0.46) ACEPPARGPPARA
SCHEMBL9165661 0.81 ACE (0.60) ACEPPARGPPARA
SCHEMBL9171784 0.81 ACE (0.60) ACEPPARGPPARA
SCHEMBL9167734 0.80 ACE (0.46) ACEPPARGPPARA

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
Send feedback