SCHEMBL10456166

SCHEMBL10456166

O=C(O)C(O)c1ccc(O)c(C(O)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 5/20 0.59
TSHR P16473 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 7/20 0.49
LMNA P02545 4/20 0.49
NR1I2 O75469 1/20 0.49
PTGS1 P23219 1/20 0.49
ADRA1A P35348 1/20 0.49
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 8/20 0.44
HSD17B10 Q99714 7/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
GRM1 Q13255 3/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.44
PMP22 Q01453 2/20 0.41
NFKB1 P19838 2/20 0.41

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
SCHEMBL12669642 0.89 BLM (0.47) BLMTSHRNPSR1TDP1LMNA
SCHEMBL11444163 0.87 BLM (0.58) BLMTSHRNPSR1TDP1LMNA
SCHEMBL11482382 0.87 BLM (0.58) BLMTSHRNPSR1TDP1LMNA
SCHEMBL29881886 0.83 BLM (0.62) BLMTSHRNPSR1TDP1LMNA
SCHEMBL10085813 0.83 BLM (0.62) BLMTSHRNPSR1TDP1LMNA
SCHEMBL29935536 0.83 BLM (0.62) BLMTSHRNPSR1TDP1LMNA
SCHEMBL43825 0.83 BLM (0.62) BLMTSHRNPSR1TDP1LMNA
SCHEMBL28135952 0.83 BLM (0.62) BLMTSHRNPSR1TDP1LMNA
SCHEMBL43826 0.83 BLM (0.62) BLMTSHRNPSR1TDP1LMNA
SCHEMBL12669641 0.83 BLM (0.43) BLMTSHRNPSR1TDP1LMNA

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
US-4978784-A Process for industrial manufacture of sodium parahydroxymandelate SOCIETE FRANCAISE HOECHST (FR) 1990-12-18 US disclosed