SCHEMBL27166259

SCHEMBL27166259

CCCCOc1ccc(CC(C(=O)O)N(CC)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
ACACB O00763 1/20 0.41
PPARD Q03181 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27166243 0.89 ACACB (0.43) ITGB3ITGA2BPPARGPPARAACACB
SCHEMBL27166240 0.88 ITGB3 (0.41) ITGB3ITGA2BPPARGPPARAACACB
SCHEMBL25185955 0.84 PPARG (0.39) ITGB3ITGA2BPPARGPPARAPPARD
SCHEMBL27166271 0.84 CTSS (0.43) ITGA4
SCHEMBL10604721 0.84 CTSS (0.43) ITGA4
SCHEMBL10957808 0.84 ATM (0.42) PPARGPPARAITGA4LMNAL3MBTL1
SCHEMBL10957821 0.84 ATM (0.42) PPARGPPARAITGA4LMNAL3MBTL1
SCHEMBL23099848 0.84 ATM (0.42) PPARGPPARAITGA4LMNAL3MBTL1
SCHEMBL25178617 0.83 PPARA (0.42) PPARGPPARALMNA
SCHEMBL6140276 0.83 HDAC3 (0.34) ITGB3ITGA2BPPARGPPARAITGA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed