SCHEMBL30162890

SCHEMBL30162890

COC(=O)c1cn(CCOCCO[Si](C)(C)C(C)(C)C)nn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
DUT P33316 1/20 0.37
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.34
KLKB1 P03952 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
GLA P06280 1/20 0.34
NOTUM Q6P988 3/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 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
SCHEMBL21669658 0.81 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL24841212 0.81 MAPT (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21669657 0.76 MMP2 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12391988 0.74 DGAT1 (0.39) ALDH1A1LMNA
SCHEMBL12391996 0.74 DGAT1 (0.39) ALDH1A1LMNA
SCHEMBL25446383 0.74 NR1H4 (0.38) ALDH1A1LMNAGLAMAPT
SCHEMBL12391991 0.74 DGAT1 (0.39) ALDH1A1LMNAMAPT
SCHEMBL2027803 0.73 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5655219 0.73 ALDH1A1 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15775618 0.72 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1

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-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 WO disclosed