SCHEMBL29132593

SCHEMBL29132593

COC(=O)C1CCN(C2CCC(CO[Si](C)(C)C(C)(C)C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 8/20 0.40
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FKBP1A P62942 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM1 P11229 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL26112047 0.95 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TP53GAAMEN1
SCHEMBL26117512 0.88 MAPT (0.42) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL1147987 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53GAAMEN1
SCHEMBL1700418 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53GAAMEN1
SCHEMBL29132569 0.81 FKBP1A (0.32) FKBP1A
SCHEMBL21851141 0.78 TP53 (0.56) SMN1; SMN2ALDH1A1TP53GAAMEN1
SCHEMBL15570547 0.77 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TP53GAAMEN1
SCHEMBL17374329 0.77 CHRNB2 (0.39) SMN1; SMN2ALDH1A1FKBP1A
SCHEMBL3652002 0.73 MEN1 (0.40) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL18982926 0.73 FKBP1A (0.35) FKBP1A

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