SCHEMBL6669706

SCHEMBL6669706

CCC(=O)c1cccc(COC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 1/20 0.46
MRGPRX4 Q96LA9 6/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6903869 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9ANPC1MRGPRX4
SCHEMBL6709375 0.82 ALDH1A1 (0.73) ALDH1A1RAB9ACYP3A4KDM4ESLC6A2
SCHEMBL3485226 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9APKMCYP3A4
SCHEMBL28745905 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL16154053 0.80 ALDH1A1 (0.63) ALDH1A1RAB9ACYP3A4KDM4ESLC6A2
SCHEMBL27188495 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1MRGPRX4
SCHEMBL2548757 0.79 F10 (0.57) ALDH1A1
SCHEMBL3033628 0.79 BCL2 (0.50) SMN1; SMN2RAB9ANPC1HPGDMRGPRX4
SCHEMBL8580572 0.79 PRSS1 (0.46) SMN1; SMN2RAB9ANPC1HPGDMRGPRX4
SCHEMBL20428684 0.78 TDP1 (0.65) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004621-B1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN CHEMICALS LTD (JP) 2004-09-15 EP disclosed
US-6485657-B1 Gamma-ray stabilizer and thermoplastic polymer compound including the said stabilizer TEIJIN, LIMITED (JP) 2002-11-26 US disclosed
EP-1004621-A1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 2000-05-31 EP disclosed