SCHEMBL8790259

SCHEMBL8790259

OCCCCNCCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.62
HPGD P15428 1/20 0.56
DUSP3 P51452 1/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.50
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.49
KDM1A O60341 2/20 0.48
KEAP1 Q14145 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.43

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
SCHEMBL18024051 0.94 PAOX (0.59) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL3522931 0.91 PAOX (0.59) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL721355 0.88 PAOX (0.64) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL8306310 0.87 ALDH1A1 (0.53) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL4398803 0.86 PAOX (0.62) PAOXHPGDDUSP3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2488967 0.86 PAOX (0.62) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL11087 0.84 KDM4E (0.64) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL12014344 0.82 KDM4E (0.61) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL12014338 0.82 KDM4E (0.61) PAOXHPGDDUSP3KDM4EALDH1A1
SCHEMBL1403807 0.82 KDM4E (0.61) PAOXHPGDDUSP3KDM4EALDH1A1

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-0802902-A1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF OSTEOPOROSIS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed