SCHEMBL6879560

SCHEMBL6879560

CCOc1cc(OCC)c(OC)c(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL27793485 0.94 KDM4E (0.50) TDP1LMNAKDM4EALDH1A1HTT
SCHEMBL6154976 0.86 TSHR (0.49) LMNAKDM4EALDH1A1NCOA1NCOA3
SCHEMBL8555013 0.79 KDM4E (0.49) LMNAKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL644055 0.78 KDM4E (0.57) KDM4EALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL27009292 0.78 TDP1 (0.64) TDP1LMNAKDM4EALDH1A1KMT2A
SCHEMBL267613 0.77 KDM4E (0.49) TDP1LMNAKDM4EALDH1A1HTT
SCHEMBL3576601 0.77 LMNA (0.57) LMNAKDM4EALDH1A1HTTNCOA1
SCHEMBL23292495 0.76 MAPT (0.58) TDP1LMNAKDM4EALDH1A1HTT
SCHEMBL7797959 0.76 TDP1 (0.58) TDP1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4849392 0.76 TSHR (0.51) LMNAKDM4EALDH1A1HTTPOLB

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