SCHEMBL10964895

SCHEMBL10964895

O=C(O)c1ccccc1Oc1ccc(Sc2ccc(Oc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.54
HTT P42858 2/20 0.53
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 7/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL28411450 0.89 CTNNB1 (0.66) CTNNB1HTTALDH1A1KDM4EHPGD
SCHEMBL11576380 0.87 CTNNB1 (0.51) CTNNB1HTTALDH1A1KDM4EHPGD
SCHEMBL6049187 0.87 HTT (0.54) CTNNB1HTTALDH1A1KDM4EHPGD
SCHEMBL9252102 0.85 CTNNB1 (0.67) CTNNB1HTTALDH1A1KDM4EHPGD
SCHEMBL425870 0.85 CTNNB1 (0.42) CTNNB1HTTALDH1A1KDM4EHPGD
SCHEMBL1798 0.85 CTNNB1 (0.71) CTNNB1HTTALDH1A1KDM4EHPGD
SCHEMBL11574490 0.84 HTT (0.55) CTNNB1HTTALDH1A1KDM4EHPGD
Bicarbonate SCHEMBL236889 0.83 CTNNB1 (0.69) CTNNB1HTTALDH1A1KDM4EHPGD
Bicarbonate SCHEMBL21517637 0.83 CTNNB1 (0.69) CTNNB1HTTALDH1A1KDM4EHPGD
SCHEMBL11875755 0.83 CTNNB1 (0.69) CTNNB1HTTALDH1A1KDM4EHPGD

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-4547553-A CROSSLINKED SOLVENT RESISTANT THERMOPLASTIC RESIN THE BOEING COMPANY (US) 1985-10-15 US disclosed