SCHEMBL8530822

SCHEMBL8530822

CC(C)(CCC(C)(C)OOC(=O)C(=O)OC1CCC(C(C)(C)C)CC1)OOC(=O)C(=O)OC1CCC(C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP19A1 P11511 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LIPA P38571 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL82694 0.86 APOBEC3A (0.44) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL7783030 0.84 CYP19A1 (0.40) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL7931090 0.84 EPHX1 (0.41) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL7790600 0.82 APOBEC3A (0.40) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL7931085 0.81 MAPT (0.41) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL27761051 0.75 MAPT (0.46) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL7791477 0.75 MAPT (0.46) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL7791480 0.73 MAPT (0.47) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL10886962 0.72 MAPT (0.38) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL35809 0.72 MAPT (0.50) APOBEC3AAPOBEC3GHTTSMN1; 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
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed