SCHEMBL4407463

SCHEMBL4407463

CCOC(OCC)([PH2]=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
SORT1 Q99523 11/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL3286925 0.82 CFTR (0.41) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4689121 0.80 MEN1 (0.46) ALDH1A1TSHRNR1H4
SCHEMBL2878439 0.76 TDP1 (0.40) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2878434 0.75 TDP1 (0.39) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2574864 0.74 ESR1 (0.44) ALDH1A1HSD17B10HPGDLMNATSHR
SCHEMBL11024106 0.71 KIF11 (0.38) ALDH1A1HPGD
SCHEMBL15004834 0.70 TDP1 (0.50) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL498353 0.70 LOXL2 (0.46) ALDH1A1TSHR
SCHEMBL1356449 0.69 TDP1 (0.71) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL31528338 0.69 TDP1 (0.71) TDP1ALDH1A1HSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed