SCHEMBL6154431

SCHEMBL6154431

COC(=O)N(Cc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc(C2(C)OCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
ICMT O60725 1/20 0.33
NR1H4 Q96RI1 4/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL6887588 0.90 HDAC1 (0.37) HDAC1HDAC6HDAC5ALDH1A1PTGDR2
SCHEMBL6155690 0.77 LCK (0.38) ALDH1A1CFD
SCHEMBL6155882 0.70 MAOB (0.46) MAPTL3MBTL1NPC1RAB9A
SCHEMBL6155682 0.68 PTPN1 (0.43)
SCHEMBL6155685 0.68 PTPN1 (0.43)
SCHEMBL7770806 0.67 VDR (0.36) ALDH1A1MAPTHSD17B10L3MBTL1NPC1
SCHEMBL7770803 0.66 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1
SCHEMBL6003103 0.64 NPC1 (0.57) ALDH1A1CHRM2CHRM1CHRM3NPC1
SCHEMBL3283097 0.64 KAT8 (0.39)
SCHEMBL23662414 0.64 LOXL2 (0.45) ALDH1A1MAPTHPGDNPSR1L3MBTL1

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