SCHEMBL11110100

SCHEMBL11110100

CCOC(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.67
TTR P02766 3/20 0.52
TYMS P04818 1/20 0.49
KCNA3 P22001 1/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
APAF1 O14727 1/20 0.46
MITF O75030 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ABCC4 O15439 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CHRM2 P08172 1/20 0.45
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL28341314 0.84 ELANE (0.57) ELANETTRKCNA3MAOAALDH1A1
SCHEMBL27602059 0.83 ELANE (0.56) ELANETTRKCNA3MAOAALDH1A1
SCHEMBL10352419 0.83 ELANE (0.49) ELANETTRTYMSMAOAALDH1A1
SCHEMBL11102953 0.83 ELANE (0.64) ELANETTRKCNA3MAOAALDH1A1
SCHEMBL11039554 0.83 ELANE (0.55) ELANETTRKCNA3MAOAALDH1A1
SCHEMBL11851094 0.82 MAPT (0.49) ELANETYMSALDH1A1MAPTLMNA
SCHEMBL1960366 0.81 TYMS (0.51) ELANETYMSALDH1A1MAPTLMNA
SCHEMBL11102131 0.81 ELANE (0.53) ELANETTRKCNA3MAOAALDH1A1
SCHEMBL27584372 0.81 ELANE (0.57) ELANETTRKCNA3MAOAALDH1A1
SCHEMBL11101186 0.80 TTR (0.72) ELANETTRKCNA3MAOAALDH1A1

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-4451278-A 1-Hydroxyanthraquinone aquatic herbicide GAF CORPORATION (US) 1984-05-29 US disclosed