SCHEMBL8688747

SCHEMBL8688747

COc1ccc2c(C(=O)O)c3c(OC)ccc(C)c3nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
DYRK1A Q13627 4/20 0.40
DYRK2 Q92630 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
DYRK3 O43781 2/20 0.40
CDK9 P50750 2/20 0.40

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
SCHEMBL22969068 0.78 KDM4E (0.53) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL23044983 0.76 KDM4E (0.52) KDM4EALDH1A1CYP2C9HSD17B10POLB
SCHEMBL3898415 0.75 KDM4E (0.51) KDM4EALDH1A1CYP2C9POLBCYP2D6
SCHEMBL8687449 0.75 NQO2 (0.53) KDM4EALDH1A1POLBHPGDGAA
SCHEMBL6584881 0.73 KDM4E (0.56) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL28534944 0.72 CA12 (0.46) KDM4EALDH1A1CYP2C9POLBHPGD
Hydrochloric Acid SCHEMBL7531424 0.72 KDM4E (0.54) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL3895839 0.71 KDM4E (0.46) KDM4EALDH1A1CYP2C9POLBCYP2D6
SCHEMBL13223650 0.70 KDM4E (0.51) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL10902014 0.70 KDM4E (0.56) KDM4EALDH1A1HSD17B10POLBHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723295-A MULTISTAGE CHEMILUMINESCENT ASSAY WITH PEROXIDASE ENZYME, PH ADJUSTMENT LUMIGEN, INC. (US) 1998-03-03 US disclosed
US-5670644-A CHEMILUMINESCENT REACTIONS, PEROXIDASE AND PH FOR IMMUNOASSAY LUMIGEN, INC. (US) 1997-09-23 US disclosed