SCHEMBL11864310

SCHEMBL11864310

CCC(O)c1ccc2c(c1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.67
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 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
SCHEMBL11877197 0.93 AOC3 (0.59) AOC3PTGS1PTGS2SMN1; SMN2ATM
SCHEMBL5490219 0.89 AOC3 (0.54) AOC3SMN1; SMN2CYP3A4CYP2D6HPGD
SCHEMBL5491732 0.88 AOC3 (0.65) AOC3PTGS1PTGS2SMN1; SMN2ATM
SCHEMBL22785949 0.84 AOC3 (0.64) AOC3PTGS1PTGS2ATMCYP3A4
SCHEMBL22785898 0.84 AOC3 (0.64) AOC3PTGS1PTGS2ATMCYP3A4
SCHEMBL19043557 0.82 AOC3 (0.67) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL14206671 0.82 AOC3 (0.67) AOC3PTGS1PTGS2CYP3A4CYP2D6
SCHEMBL16477749 0.81 PTGS1 (0.53) AOC3PTGS1PTGS2SMN1; SMN2ATM
SCHEMBL17996460 0.81 AOC3 (0.57) AOC3PTGS1PTGS2SMN1; SMN2ATM
SCHEMBL6321349 0.81 AOC3 (0.61) AOC3PTGS1PTGS2SMN1; SMN2CYP3A4

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-3946040-A JUVENILE HORMONE ACTIVITY, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-03-23 US disclosed