SCHEMBL2878434

SCHEMBL2878434

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SORT1 Q99523 13/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
LMNA P02545 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
SCHEMBL10964362 0.81 PGK1 (0.40) PTPN1
SCHEMBL9181306 0.76 PTPN5 (0.42) PTPN1
SCHEMBL8636351 0.76 PTPN1 (0.47) ALDH1A1PTPN1
SCHEMBL11735789 0.75 PTPN1 (0.34) TDP1ALDH1A1KDM4EHPGDPTPN1
SCHEMBL2878439 0.75 TDP1 (0.40) TDP1ALDH1A1SORT1KDM4EHPGD
SCHEMBL4407463 0.75 TDP1 (0.40) TDP1ALDH1A1SORT1KDM4EHPGD
SCHEMBL11249782 0.73 SMN1; SMN2 (0.41)
SCHEMBL9862480 0.72 CA1 (0.51) TDP1ALDH1A1HPGDLMNA
SCHEMBL11253983 0.72 MEN1 (0.40) ALDH1A1PTPN1LMNA
SCHEMBL27685872 0.71 PTPN1 (0.36) CYP2C19PTPN1

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