SCHEMBL25964301

SCHEMBL25964301

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
LMNA P02545 2/20 0.38
S1PR1 P21453 1/20 0.38
POLB P06746 1/20 0.38
OPRD1 P41143 1/20 0.38
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL26202711 0.95 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL22600490 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13032706 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL25040447 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26178992 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18623944 0.84 SIGMAR1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24410021 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29300550 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL18118429 0.84 CASP2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5547349 0.84 CASP2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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-2023164775-A1 RADIOLABELED COMPOUNDS TARGETNG THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-09-07 WO disclosed
WO-2023148115-A1 THERAGNOSTIC FOLATE CONJUGATES MERCK PATENT GMBH (DE) 2023-08-10 WO disclosed