SCHEMBL12669641

SCHEMBL12669641

O=C(O)C(O)c1cc(C(C(=O)O)c2ccc(O)cc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 6/20 0.41
LMNA P02545 4/20 0.41
NR1I2 O75469 1/20 0.41
PTGS1 P23219 1/20 0.41
ADRA1A P35348 1/20 0.41
SRC P12931 1/20 0.41
YARS1 P54577 1/20 0.39
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GRM1 Q13255 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.36

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 0.93 BLM (0.47) BLMTSHRNPSR1TDP1LMNA
SCHEMBL10456166 0.83 BLM (0.59) BLMTSHRNPSR1TDP1LMNA
SCHEMBL180939 0.78 SRC (0.54) BLMTDP1LMNAPTGS1ADRA1A
SCHEMBL27577340 0.76 SRC (0.52) BLMTDP1LMNAPTGS1ADRA1A
SCHEMBL27473645 0.76 SRC (0.52) BLMTDP1LMNAPTGS1ADRA1A
SCHEMBL13749426 0.76 ESR1 (0.42) BLMTSHRNPSR1LMNAYARS1
SCHEMBL13749036 0.74 ESR1 (0.40) BLMTSHRNPSR1LMNAYARS1
SCHEMBL22959423 0.73 BLM (0.58) BLMTSHRTDP1LMNANR1I2
SCHEMBL2942876 0.73 CNR1 (0.54) TDP1LMNASRCALDH1A1KMT2A
SCHEMBL352555 0.72 LMNA (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112260-A1 COMPOSITION COMPRISING A BLEND OF RESINS DSM IP ASSETS B.V. (NL) 2011-05-12 US disclosed
US-20110112260-A1 COMPOSITION COMPRISING A BLEND OF RESINS DSM IP ASSETS B.V. (NL) 2011-05-12 US disclosed
US-20110086988-A1 COMPOSITION COMPRISING POLYOLS EVONIK DEGUSSA GMBH (DE) 2011-04-14 US disclosed
US-20110086988-A1 COMPOSITION COMPRISING POLYOLS EVONIK DEGUSSA GMBH (DE) 2011-04-14 US disclosed