SCHEMBL8676380

SCHEMBL8676380

COc1cc(CCC(C)=O)ccc1OCC(O)CNC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
KCNH2 Q12809 1/20 0.48
CASR P41180 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 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
SCHEMBL8675573 0.85 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL11762781 0.82 CASR (0.52) MEN1KMT2AADRB2ADRB1KCNH2
Hydrochloric Acid SCHEMBL11870429 0.81 MAPT (0.52) MEN1KMT2AADRB2ADRB1CASR
SCHEMBL11873816 0.80 MAPT (0.52) MEN1KMT2AADRB2ADRB1KCNH2
SCHEMBL8438167 0.79 TSHR (0.56) MEN1KMT2AADRB2ADRB1KDM4E
SCHEMBL11760108 0.78 CASR (0.52) ADRB2ADRB1KCNH2CASRMAPT
SCHEMBL11866197 0.78 MAPT (0.50) MEN1KMT2AADRB2ADRB1KCNH2
SCHEMBL11863348 0.77 HTT (0.60) ADRB2ADRB1KCNH2MAPTHTT
SCHEMBL8675291 0.77 FDPS (0.61) MEN1KMT2AKDM4EALDH1A1
SCHEMBL29426332 0.77 FDPS (0.61) MEN1KMT2AKDM4EALDH1A1

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-5804603-A ADMINISTERING AS HYPOTENSIVE AGENTS; SIDE EFFECT REDUCTION; TOXICITY; LOWERS BLOOD PRESSURE. NATIONAL SCIENCE COUNCIL (TW) 1998-09-08 US disclosed