SCHEMBL20902636

SCHEMBL20902636

COC(=O)c1cc(-c2ccc(O)cc2)ccc1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ APOBEC3A P31941 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA7 P43166 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ CA14 Q9ULX7 4/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ ABCC1 P33527 1/20 0.46
▸ HSD17B1 P14061 2/20 0.46

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
SCHEMBL1025962 0.87 CA12 (0.62) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL5627215 0.78 GAA (0.56) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL31196721 0.78 GAA (0.56) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL5928677 0.78 KDM4E (0.71) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12846929 0.78 SMN1; SMN2 (0.47) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL5899451 0.78 ALDH1A1 (0.67) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL31337030 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL17881940 0.77 SMN1; SMN2 (0.53) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL26046942 0.76 RAB9A (0.49) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL14503722 0.76 CA12 (0.49) NPC1POLBKDM4ESMN1; SMN2CA12

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
EP-2672820-B1 MANNOSIDE COMPOUNDS AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2019-04-17 — — EP disclosed
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