SCHEMBL6157428

SCHEMBL6157428

CNc1cccc(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.51
ITGB3 P05106 4/20 0.48
ITGAV P06756 3/20 0.48
ITGA2B P08514 2/20 0.48
ITGB1 P05556 1/20 0.48
ITGB5 P18084 1/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 5/20 0.48
CTSB P07858 3/20 0.48
PTPN1 P18031 2/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
CTSL P07711 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
PPARD Q03181 2/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43

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
SCHEMBL28680922 0.86 ACE (0.63) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL8300245 0.83 ACE (0.59) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL17933020 0.80 ACE (0.60) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL10099987 0.80 ACE (0.60) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL13286814 0.78 ACE (0.58) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL15565481 0.78 ACE (0.58) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL13227703 0.78 PTPN1 (0.63) ACEITGB3ITGA2BITGB1CTSS
SCHEMBL18089317 0.78 ACE (0.53) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL9956403 0.77 ACE (0.63) ACEITGB3ITGAVITGA2BITGB1
SCHEMBL14638965 0.77 ACE (0.63) ACEITGB3ITGAVITGA2BITGB1

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-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP disclosed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO disclosed