SCHEMBL27166262

SCHEMBL27166262

CCOCCOCCOc1ccc(C[C@H]2CN2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
SIGMAR1 Q99720 3/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD4 P21917 1/20 0.39
HRH2 P25021 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 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
SCHEMBL27166244 1.00 APP (0.44) APPSIGMAR1LMNAMAPK1DRD4
SCHEMBL27166275 0.99 SIGMAR1 (0.42) APPSIGMAR1LMNAMAPK1DRD4
SCHEMBL27166296 0.91 APP (0.45) APPSIGMAR1DRD4HRH2MEN1
SCHEMBL27268645 0.91 APP (0.45) APPSIGMAR1DRD4HRH2MEN1
SCHEMBL27166277 0.91 APP (0.45) APPSIGMAR1DRD4HRH2MEN1
SCHEMBL27166287 0.87 SIGMAR1 (0.50) SIGMAR1MEN1KMT2A
SCHEMBL27166251 0.87 LMNA (0.49) SIGMAR1LMNAMAPK1DRD4HRH2
SCHEMBL30804770 0.87 SIGMAR1 (0.37) APPSIGMAR1LMNAMAPK1DRD4
SCHEMBL27166273 0.87 SIGMAR1 (0.37) APPSIGMAR1LMNAMAPK1DRD4
SCHEMBL27166245 0.84 SIGMAR1 (0.61) SIGMAR1LMNAMAPK1HRH2MEN1

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 4 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
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