SCHEMBL26419615

SCHEMBL26419615

CNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.41
SIGMAR1 Q99720 3/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
FOLH1 Q04609 4/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL26503501 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1SIGMAR1TSHR
SCHEMBL26416988 0.87 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1SIGMAR1TSHR
SCHEMBL26421403 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1SIGMAR1TSHR
SCHEMBL23153012 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1SIGMAR1TSHR
SCHEMBL14288943 0.85 KDM4E (0.60) ALDH1A1KDM4ETDP1SIGMAR1TSHR
SCHEMBL26502366 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1SIGMAR1TSHR
SCHEMBL26505522 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1SIGMAR1SMN1; SMN2
SCHEMBL19090093 0.82 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1SIGMAR1TSHR
SCHEMBL26417042 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1SIGMAR1SMN1; SMN2
SCHEMBL29302067 0.81 MEN1 (0.43) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed