SCHEMBL29132571

SCHEMBL29132571

COC(=O)C1CCC(N2CC(COS(C)(=O)=O)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 1/20 0.33
BRD4 O60885 1/20 0.32
POLB P06746 1/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL26116351 0.86 MAPT (0.40) ALDH1A1MAPTNPSR1SMN1; SMN2PKM
SCHEMBL2078818 0.84 TP53 (0.49) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL8076838 0.84 TP53 (0.49) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL20293456 0.84 TP53 (0.49) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL16685914 0.76 TP53 (0.42) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL371909 0.72 MEN1 (0.36) ALDH1A1GAACCR2
SCHEMBL29132538 0.72 TP53 (0.32) TP53ALDH1A1
SCHEMBL12526267 0.71 SMN1; SMN2 (0.41) TP53ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL15515961 0.70 ALDH1A1 (0.40) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL15515818 0.70 ALDH1A1 (0.40) ALDH1A1MAPTHPGDGAASMN1; SMN2

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
CN-116829570-A WEE1 degrading compounds 北京星奇原生物科技有限公司 2023-09-29 CN disclosed