SCHEMBL6562965

SCHEMBL6562965

CCC(=O)c1cc(CCc2ccc(CO)c(CO)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
VDR P11473 3/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
GSK3B P49841 3/20 0.34
BACE1 P56817 1/20 0.32
MTNR1A P48039 1/20 0.32
POLB P06746 2/20 0.32
IAPP P10997 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
EGFR P00533 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
SCHEMBL6564204 0.80 POLB (0.49) MAPTVDRHPGDHTTGSK3B
SCHEMBL6564816 0.76 DAO (0.35) DAOMAPTNPSR1BACE1
SCHEMBL6562975 0.76 DAO (0.48) DAOMAPTNPSR1HPGDHTT
SCHEMBL7611461 0.75 LTB4R (0.36) DAOMAPTNPSR1VDREGFR
SCHEMBL3280099 0.74 VDR (0.53) MAPTVDRHPGDHTTTDP1
SCHEMBL13267640 0.73 MAPT (0.50) DAOMAPTNPSR1HPGDHTT
SCHEMBL6563871 0.73 VDR (0.40) VDR
SCHEMBL6563862 0.73 VDR (0.40) VDR
SCHEMBL6563866 0.73 VDR (0.40) VDR
SCHEMBL6565145 0.73 VDR (0.55) VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed