SCHEMBL27166309

SCHEMBL27166309

CCOCCOCCOc1ccc(CC(CO)NCc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.45
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KDM4E B2RXH2 2/20 0.44
APP P05067 2/20 0.43
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ADRB2 P07550 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39

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
SCHEMBL27166365 1.00 ACACB (0.45) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166280 1.00 ACACB (0.45) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166253 1.00 ACACB (0.45) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166305 0.99 ACACB (0.46) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166224 0.99 ACACB (0.46) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166297 0.92 ADRB3 (0.44) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166265 0.92 ADRB3 (0.44) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166242 0.92 ADRB3 (0.44) ACACBADRB1ADRB3KDM4EAPP
SCHEMBL27166267 0.88 ADRB1 (0.47) ACACBADRB1ADRB3KDM4EALDH1A1
SCHEMBL27166264 0.87 ADRB1 (0.48) ACACBADRB1ADRB3ALDH1A1ALOX12

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