SCHEMBL2878439

SCHEMBL2878439

CCOC(OCC)(c1ccc(C(=O)O)c(C(=O)O)c1)P(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NR1H4 Q96RI1 3/20 0.37
SORT1 Q99523 7/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXRB P28702 2/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
TSHR P16473 1/20 0.33
RXRA P19793 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL4407463 0.76 TDP1 (0.40) TDP1ALDH1A1NR1H4SORT1KDM4E
SCHEMBL2878434 0.75 TDP1 (0.39) TDP1ALDH1A1NR1H4SORT1KDM4E
SCHEMBL15004834 0.70 TDP1 (0.50) TDP1ALDH1A1NR1H4SORT1KDM4E
SCHEMBL1356449 0.69 TDP1 (0.71) TDP1ALDH1A1NR1H4KDM4EHSD17B10
SCHEMBL29361914 0.69 TDP1 (0.56) TDP1ALDH1A1NR1H4SORT1KDM4E
SCHEMBL105948 0.69 TDP1 (0.56) TDP1ALDH1A1NR1H4SORT1KDM4E
SCHEMBL31528338 0.69 TDP1 (0.71) TDP1ALDH1A1NR1H4KDM4EHSD17B10
SCHEMBL29441322 0.69 TDP1 (0.56) TDP1ALDH1A1NR1H4SORT1KDM4E
Water SCHEMBL28451483 0.68 TDP1 (0.44) TDP1ALDH1A1NR1H4SORT1KDM4E
SCHEMBL1098811 0.68 TDP1 (0.54) TDP1ALDH1A1NR1H4SORT1KDM4E

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 1 patent. 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