SCHEMBL27166243

SCHEMBL27166243

CCOCCOCCOc1ccc(CC(C(=O)O)N(CC)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
PPARG P37231 8/20 0.39
PPARA Q07869 8/20 0.39
THRA P10827 1/20 0.39
PPARD Q03181 4/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
FFAR1 O14842 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL27166240 0.93 ITGB3 (0.41) ACACBITGB3ITGA2BPPARGPPARA
SCHEMBL27166259 0.89 ITGB3 (0.47) ACACBITGB3ITGA2BPPARGPPARA
SCHEMBL27166237 0.88 ITGB3 (0.46) ACACBITGB3ITGA2BPPARGPPARA
SCHEMBL27166300 0.87 ITGB3 (0.46) ACACBITGB3ITGA2BPPARGPPARA
SCHEMBL25185955 0.81 PPARG (0.39) ITGB3ITGA2BPPARGPPARAPPARD
SCHEMBL10604721 0.81 CTSS (0.43)
SCHEMBL27166271 0.81 CTSS (0.43)
SCHEMBL10957821 0.80 ATM (0.42) PPARGPPARA
SCHEMBL23099848 0.80 ATM (0.42) PPARGPPARA
SCHEMBL10957808 0.80 ATM (0.42) PPARGPPARA

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