SCHEMBL8647971

SCHEMBL8647971

O=C(Cl)C=CNOc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
HSD17B10 Q99714 6/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 8/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.42
PDE3A Q14432 1/20 0.42
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 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
SCHEMBL4294796 0.78 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL28343733 0.77 KDM4E (0.51) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL2493557 0.71 KDM4E (0.55) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL7111180 0.71 KDM4E (0.55) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL1982429 0.69 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL30255502 0.69 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL6853273 0.69 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL248816 0.69 KDM4E (0.66) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL38660686 0.68 KDM4E (0.61) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL6266872 0.68 KDM4E (0.51) KDM4EHSD17B10HPGDMAPTALDH1A1

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-0647160-B1 ION EXCHANGE RESIN UNIV MONASH (AU) 1998-09-02 EP claimed