SCHEMBL27166249

SCHEMBL27166249

CCOCCOCCOc1ccc(C[C@H](N)CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
THRA P10827 1/20 0.45
NCF1 P14598 2/20 0.40
APP P05067 3/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL27166321 1.00 ACACB (0.50) ACACBMEN1USP2ALDH1A1LMNA
SCHEMBL27166284 1.00 ACACB (0.50) ACACBMEN1USP2ALDH1A1LMNA
SCHEMBL27166319 1.00 ACACB (0.50) ACACBMEN1USP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL30804763 0.98 ACACB (0.49) ACACBMEN1USP2ALDH1A1LMNA
SCHEMBL27268878 0.98 ACACB (0.51) ACACBMEN1USP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27166247 0.97 ACACB (0.50) ACACBMEN1USP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27166325 0.97 ACACB (0.50) ACACBMEN1USP2ALDH1A1LMNA
SCHEMBL27166313 0.88 ACACB (0.46) ACACBMEN1USP2ALDH1A1LMNA
SCHEMBL8775112 0.88 ACACB (0.46) ACACBMEN1USP2ALDH1A1LMNA
SCHEMBL27166235 0.88 ACACB (0.46) ACACBMEN1USP2ALDH1A1LMNA

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