SCHEMBL2853362

SCHEMBL2853362

CC(C)(C)[SiH2]OC(C)(C)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
USP2 O75604 1/20 0.38
AKR1C2 P52895 2/20 0.36
AKR1C3 P42330 1/20 0.36
RXRB P28702 1/20 0.36
SORT1 Q99523 7/20 0.35
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GRM8 O00222 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
SCHEMBL105948 0.75 TDP1 (0.56) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL29441322 0.75 TDP1 (0.56) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL29361914 0.75 TDP1 (0.56) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL31528338 0.75 TDP1 (0.71) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1356449 0.75 TDP1 (0.71) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1098811 0.73 TDP1 (0.54) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL267196 0.73 TDP1 (0.54) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL29393207 0.73 TDP1 (0.54) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL28506952 0.73 TDP1 (0.69) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2049029 0.72 TDP1 (0.53) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 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-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed
EP-1235777-A2 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-2001038303-A2 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