SCHEMBL27166237

SCHEMBL27166237

CCOCCOCCOCCOc1ccc(CC(C(=O)O)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ACACB O00763 3/20 0.44
THRA P10827 1/20 0.42
PPARG P37231 6/20 0.41
PPARA Q07869 5/20 0.40
PPARD Q03181 2/20 0.39
MMP13 P45452 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
ADORA1 P30542 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
SCHEMBL27166300 0.99 ITGB3 (0.46) ITGB3ITGA2BACACBTHRAPPARG
SCHEMBL27166225 0.91 ITGB3 (0.46) ITGB3ITGA2BACACBPPARGPPARA
SCHEMBL27166243 0.88 ACACB (0.43) ITGB3ITGA2BACACBTHRAPPARG
SCHEMBL8765273 0.83 SMN1; SMN2 (0.46) ITGB3ITGA2BPPARGMMP13
SCHEMBL3776724 0.81 LDHA (0.54) ITGB3ITGA2BPPARGPPARAMMP13
SCHEMBL6942693 0.81 LDHA (0.54) ITGB3ITGA2BPPARGPPARAMMP13
SCHEMBL10785304 0.81 MMP13 (0.43) ITGB3ITGA2BACACBPPARGPPARA
SCHEMBL6474783 0.81 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAPPARD
SCHEMBL16634946 0.81 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAPPARD
SCHEMBL29397771 0.81 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAPPARD

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