SCHEMBL28273690

SCHEMBL28273690

CC(C)(C)OC(=O)C1CCOCO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL18175908 0.81 GAA (0.35) USP2SMN1; SMN2RECQLHRH3MAPK1
SCHEMBL29084617 0.79 PDK1 (0.38)
SCHEMBL28056494 0.78 HPGD (0.43) SMN1; SMN2RECQLGAAKDM4E
SCHEMBL15359968 0.78 HPGD (0.43) SMN1; SMN2RECQLGAAKDM4E
SCHEMBL28075374 0.76 HPGD (0.42) USP2SMN1; SMN2RECQLGAAKDM4E
SCHEMBL7870784 0.74 MAPK1 (0.38) USP2SMN1; SMN2RECQLHRH3MAPK1
SCHEMBL7870788 0.74 MAPK1 (0.38) USP2SMN1; SMN2RECQLHRH3MAPK1
SCHEMBL2461695 0.73 RECQL (0.46) USP2SMN1; SMN2RECQLHRH3MAPK1
SCHEMBL16097219 0.73 CHRM2 (0.39) USP2SMN1; SMN2RECQLHRH3MAPK1
SCHEMBL29988783 0.73 USP2 (0.41) USP2SMN1; SMN2RECQLMAPK1GAA

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-105820160-B Modulators of cellular adhesion 萨可德生物科学公司 2019-02-12 CN disclosed