SCHEMBL27166221

SCHEMBL27166221

CCOc1ccc(C[C@H]2CN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)O)CCN2CC(=O)[O-])cc1.[Gd+3]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
FOLH1 Q04609 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
SCHEMBL27165218 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBFAAH
SCHEMBL27166219 0.92 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4EFOLH1
SCHEMBL27146634 0.92 MEN1 (0.47) ALDH1A1MEN1KMT2APOLBFAAH
SCHEMBL27166230 0.92 MEN1 (0.47) ALDH1A1MEN1KMT2APOLBFAAH
SCHEMBL27165232 0.91 MEN1 (0.38) ALDH1A1MEN1KMT2AADORA3HTR2A
SCHEMBL27166222 0.91 KDM4E (0.38) ALDH1A1MEN1KMT2AADORA3HTR2A
SCHEMBL27166218 0.91 KDM4E (0.38) ALDH1A1MEN1KMT2AADORA3HTR2A
SCHEMBL27166220 0.87 FOLH1 (0.36) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL27166228 0.87 FOLH1 (0.36) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL30804761 0.86 KDM4E (0.38) ALDH1A1MEN1KMT2APOLBFAAH

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
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO claimed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP claimed
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