SCHEMBL27166287

SCHEMBL27166287

CCCCOc1ccc(C[C@H]2CN2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
TSHR P16473 1/20 0.49
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR1 P21453 6/20 0.47
S1PR5 Q9H228 5/20 0.47
S1PR3 Q99500 4/20 0.46
NPC1 O15118 2/20 0.46
KDM4A O75164 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL27166251 0.89 LMNA (0.49) SIGMAR1MEN1KMT2A
SCHEMBL27166275 0.88 SIGMAR1 (0.42) SIGMAR1
SCHEMBL27166262 0.87 APP (0.44) SIGMAR1MEN1KMT2A
SCHEMBL27166244 0.87 APP (0.44) SIGMAR1MEN1KMT2A
SCHEMBL27166277 0.86 APP (0.45) SIGMAR1MEN1KMT2A
SCHEMBL27268645 0.86 APP (0.45) SIGMAR1MEN1KMT2A
SCHEMBL27166296 0.86 APP (0.45) SIGMAR1MEN1KMT2A
SCHEMBL27166289 0.83 SIGMAR1 (0.66) SIGMAR1MEN1KMT2A
SCHEMBL23802912 0.83 SIGMAR1 (0.63) SIGMAR1
SCHEMBL23802851 0.83 SIGMAR1 (0.63) SIGMAR1

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