SCHEMBL28060722

SCHEMBL28060722

CC1(C)CCC1OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
STS P08842 2/20 0.31
MAPK1 P28482 2/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
STAT6 P42226 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28115965 0.80 CYP3A4 (0.50) CYP3A4
SCHEMBL28544187 0.75 ATM (0.30) ATM
SCHEMBL28614621 0.74 ATM (0.31) ATM
SCHEMBL17999112 0.72 ALDH1A1 (0.33) LMNA
SCHEMBL12987002 0.71 CYP3A4 (0.31) CYP3A4
SCHEMBL4198280 0.70
SCHEMBL28726199 0.70 ATM (0.38) ATM
SCHEMBL666375 0.70 MAPT (0.57) MAPK1CYP2C19LMNA
SCHEMBL27583879 0.70 MAPT (0.57) MAPK1CYP2C19LMNA
SCHEMBL27874810 0.70 MAPT (0.57) MAPK1CYP2C19LMNA

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
CN-102656180-B As the feather fan alcohol type triterpene derivative of antiviral drug HETERO RESEARCH FOUNDATION (IN) 2016-04-20 CN disclosed