SCHEMBL6156489

SCHEMBL6156489

CCOc1cc(CO)c(OC)c(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TUBB1 Q9H4B7 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 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
SCHEMBL10604139 0.81 NQO1 (0.42) MAPTALDH1A1CYP3A4PDE4APDE4B
SCHEMBL643649 0.78 CYP1A2 (0.62) MAPTCYP1A2CYP3A4TUBB1TUBB4A
SCHEMBL4404809 0.78 PDE4A (0.42) MAPTCYP3A4CYP2C19MAPK1TUBB1
SCHEMBL4403715 0.77 KDM4E (0.39) CYP1A2CYP3A4CYP2C19LMNAPDE4A
SCHEMBL8134955 0.76 PDE4A (0.40) ALDH1A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL2759497 0.75 TUBB4A (0.61) MAPTALDH1A1CYP3A4TUBB1TUBB4A
SCHEMBL8129746 0.75 KDM4E (0.41) ALDH1A1CYP3A4HSD17B10LMNAPDE4A
SCHEMBL4398320 0.75 ABL1 (0.39) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL3574673 0.74 PTGS2 (0.50) MAPTNCOA1NCOA3CYP1A2ALDH1A1
SCHEMBL2353503 0.74 ALDH1A1 (0.47) MAPTALDH1A1LMNAKDM4ETSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
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
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed