SCHEMBL27166263

SCHEMBL27166263

CCOCCOCCOc1ccc(C[C@@H](CO)NCc2ccc(OC)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.36
ALOX12 P18054 1/20 0.36
ACACB O00763 1/20 0.36
APP P05067 2/20 0.36
ADRB2 P07550 1/20 0.35
MCHR1 Q99705 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
VNN1 O95497 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
FYN P06241 2/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL30804762 1.00 KDM4E (0.39) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166312 1.00 KDM4E (0.39) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166365 0.87 ACACB (0.45) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166253 0.87 ACACB (0.45) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166309 0.87 ACACB (0.45) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166280 0.87 ACACB (0.45) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166305 0.86 ACACB (0.46) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166224 0.86 ACACB (0.46) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166242 0.79 ADRB3 (0.44) KDM4EALDH1A1ALOX12ACACBAPP
SCHEMBL27166265 0.79 ADRB3 (0.44) KDM4EALDH1A1ALOX12ACACBAPP

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