SCHEMBL26889455

SCHEMBL26889455

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)NCCOCCOCCOCCOCCCN2CCCC2)CCN(CC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7127556 0.87 ALDH1A1 (0.51) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL24709383 0.84 ALDH1A1 (0.47) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL27331967 0.84 ALDH1A1 (0.47) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL31646761 0.82 ALDH1A1 (0.47) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL29300492 0.81 ALDH1A1 (0.49) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL24596998 0.81 ALDH1A1 (0.49) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL15354487 0.81 ALDH1A1 (0.49) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL20610685 0.81 ALDH1A1 (0.46) ALDH1A1TDP1SIGMAR1HRH3SMN1; SMN2
SCHEMBL29300493 0.81 ALDH1A1 (0.49) ALDH1A1TDP1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL24709151 0.81 ALDH1A1 (0.49) ALDH1A1TDP1SIGMAR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219952-A1 MELANOCORTIN TYPE 2 RECEPTOR (MC2R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2023-11-16 WO disclosed