SCHEMBL27166242

SCHEMBL27166242

COCCOCCOCCOc1ccc(C[C@H](CO)NCc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.44
ADRB1 P08588 2/20 0.44
APP P05067 2/20 0.44
ACACB O00763 1/20 0.42
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PSMB5 P28074 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL27166265 1.00 ADRB3 (0.44) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166297 1.00 ADRB3 (0.44) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166365 0.92 ACACB (0.45) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166253 0.92 ACACB (0.45) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166309 0.92 ACACB (0.45) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166280 0.92 ACACB (0.45) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166224 0.90 ACACB (0.46) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166305 0.90 ACACB (0.46) ADRB3ADRB1APPACACBKDM4E
SCHEMBL27166267 0.86 ADRB1 (0.47) ADRB3ADRB1ACACBKDM4EALDH1A1
SCHEMBL27166314 0.86 ADRB1 (0.47) ADRB3ADRB1ACACBKDM4EALDH1A1

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