SCHEMBL26178992

SCHEMBL26178992

CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CASP2 P42575 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAAA Q02083 1/20 0.46
S1PR1 P21453 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
EPHX2 P34913 3/20 0.44
EPHX1 P07099 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 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
SCHEMBL254811 0.98 CASP2 (0.51) ALDH1A1CASP2MEN1KMT2ASMN1; SMN2
SCHEMBL5547349 0.98 CASP2 (0.51) ALDH1A1CASP2MEN1KMT2ASMN1; SMN2
SCHEMBL18118429 0.98 CASP2 (0.51) ALDH1A1CASP2MEN1KMT2ASMN1; SMN2
SCHEMBL23824100 0.98 CASP2 (0.51) ALDH1A1CASP2MEN1KMT2ASMN1; SMN2
SCHEMBL22600490 0.95 ALDH1A1 (0.50) ALDH1A1CASP2MEN1KMT2ASMN1; SMN2
SCHEMBL13032706 0.95 ALDH1A1 (0.50) ALDH1A1CASP2MEN1KMT2ASMN1; SMN2
SCHEMBL29300501 0.94 CASP2 (0.51) ALDH1A1CASP2MEN1KMT2ANAAA
SCHEMBL29300509 0.91 CASP2 (0.45) ALDH1A1CASP2MEN1KMT2ANAAA
SCHEMBL18623944 0.89 SIGMAR1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL24410021 0.89 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164775-A1 RADIOLABELED COMPOUNDS TARGETNG THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-09-07 WO disclosed
WO-2023097038-A1 CLEAVABLE RADIOLIGANDS FOR TARGETING CELL SURFACE RECEPTORS AND USES THEREOF FULL-LIFE TECHNOLOGIES U.S. INC. (US) 2023-06-01 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed