SCHEMBL8961889

SCHEMBL8961889

C=C(C)C(=O)OC(C)OC(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.49
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
ATM Q13315 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10881542 0.84 ELANE (0.39) ELANEALDH1A1MAPTATML3MBTL1
SCHEMBL21370 0.82 MTNR1A (0.45) ELANEALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL9345614 0.81 ELANE (0.59) ELANEALDH1A1MAPTMTNR1AMTNR1B
Isobutane SCHEMBL28176404 0.80 ELANE (0.67) ELANEALDH1A1MAPTMTNR1AMTNR1B
Methacrylic Acid SCHEMBL25394729 0.79 MTNR1A (0.43) ELANEALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL27355503 0.78 ELANE (0.56) ELANEALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL8961913 0.78 THRB (0.43) ELANEALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL1264237 0.78 MTNR1A (0.42) ELANEALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL8190350 0.78 TSHR (0.49) ELANEALDH1A1MAPTATMKMT2A
SCHEMBL15058 0.77 ELANE (0.73) ELANEALDH1A1MAPTATML3MBTL1

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-5488089-A Curable resin composition KANSAI PAINT CO., LTD. (JP) 1996-01-30 US disclosed