SCHEMBL27166255

SCHEMBL27166255

CCCCOc1ccc(C[C@H]2CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN2CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
S1PR5 Q9H228 11/20 0.48
S1PR1 P21453 7/20 0.48
S1PR3 Q99500 4/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27269821 0.97 NPC1 (0.47) MEN1KMT2AS1PR5S1PR1S1PR3
SCHEMBL27166219 0.92 MEN1 (0.46) MEN1KMT2AS1PR5S1PR1S1PR3
SCHEMBL27299235 0.92 MEN1 (0.46) MEN1KMT2AS1PR5S1PR1S1PR3
SCHEMBL27166230 0.91 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4E
SCHEMBL27146634 0.91 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4E
SCHEMBL27166229 0.90 KDM4E (0.40) MEN1KMT2AS1PR5S1PR1S1PR3
SCHEMBL9031416 0.90 ITGB3 (0.43) MEN1KMT2AS1PR5S1PR1S1PR3
SCHEMBL27166254 0.89 KDM4E (0.41) MEN1KMT2AS1PR5S1PR1S1PR3
SCHEMBL27166241 0.89 KDM4E (0.41) MEN1KMT2AS1PR5S1PR1S1PR3
SCHEMBL30823371 0.88 ITGB3 (0.45) S1PR5S1PR1S1PR3

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 6 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 claimed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO claimed
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