SCHEMBL8558973

SCHEMBL8558973

CCOC(=O)c1cnn2c(Nc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc(C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.44
ALDH1A1 P00352 8/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 11/20 0.44
HSD17B10 Q99714 7/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP1 P29466 3/20 0.43
TSHR P16473 2/20 0.43
CASP7 P55210 2/20 0.43
MAPT P10636 4/20 0.41
TYK2 P29597 1/20 0.41
GAA P10253 2/20 0.40
KLK7 P49862 1/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL21948230 0.79 KDM4E (0.53) HPGDALDH1A1MEN1KMT2ATP53
SCHEMBL8555792 0.79 PDE2A (0.48) HPGDALDH1A1MEN1KMT2ATP53
SCHEMBL18208794 0.77 KDM4E (0.56) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL1006040 0.77 KDM4E (0.68) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL17732305 0.75 KDM4E (0.56) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL4262729 0.72 KDM4E (0.53) HPGDALDH1A1MEN1KMT2ATP53
SCHEMBL9300300 0.72 KDM4E (0.55) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL10407266 0.72 KDM4E (0.55) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL14124251 0.71 KDM4E (0.57) HPGDALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL10462589 0.71 CDC25B (0.53) HPGDALDH1A1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591528-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5688949-A CYCLOOXYGENASE INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-11-18 US disclosed
EP-0591528-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1994-04-13 EP disclosed