SCHEMBL7612422

SCHEMBL7612422

CCC(CCO)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 16/20 0.40
PDCD1 Q15116 8/20 0.40
CFD P00746 1/20 0.35
TPSB2 P20231 1/20 0.35
VDR P11473 2/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7606748 0.89 VDR (0.35) CD274PDCD1CFDTPSB2VDR
SCHEMBL7613344 0.88 RXRA (0.34) CD274PDCD1CFDTPSB2VDR
SCHEMBL7604546 0.84 CD274 (0.40) CD274PDCD1VDR
SCHEMBL7612427 0.82 CD274 (0.40) CD274PDCD1
SCHEMBL7606363 0.81 VDR (0.43) VDR
SCHEMBL7610926 0.80 VDR (0.42) VDR
SCHEMBL7610503 0.78 VDR (0.42) VDR
SCHEMBL6564914 0.78 VDR (0.50) CD274PDCD1VDRMAPTMAPK1
SCHEMBL7610502 0.77 VDR (0.42) VDR
SCHEMBL7608523 0.75 VDR (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed