SCHEMBL6879640

SCHEMBL6879640

C/C(=N\OCC(C)(C)O)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 8/20 0.38
PPARA Q07869 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL6155720 1.00 KDM4E (0.44) KDM4EGAAMAPTL3MBTL1LMNA
SCHEMBL9449579 0.81 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1LMNA
SCHEMBL9449576 0.81 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1LMNA
SCHEMBL6158301 0.78 NPC1 (0.42) GAAMAPTL3MBTL1LMNAMAPK1
SCHEMBL6881407 0.78 NPC1 (0.42) GAAMAPTL3MBTL1LMNAMAPK1
SCHEMBL16683714 0.75 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1LMNA
SCHEMBL13128199 0.75 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1LMNA
SCHEMBL10101738 0.75 L3MBTL1 (0.51) KDM4EGAAMAPTL3MBTL1LMNA
SCHEMBL6878835 0.74 NR4A2 (0.44) L3MBTL1NPC1RAB9APPARGPPARA
SCHEMBL6878832 0.74 VDR (0.52)

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-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed