SCHEMBL28045491

SCHEMBL28045491

CCCCCCc1cc2ccccc2c(=O)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 1.00
TYMP P19971 1/20 0.54
CASP6 P55212 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 2/20 0.48
ELANE P08246 3/20 0.47

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
SCHEMBL849667 0.98 MAPT (0.97) MAPTTYMPCASP6ALDH1A1LMNA
Dihydroartemidin SCHEMBL28045625 0.94 MAPT (0.88) MAPTTYMPCASP6ALDH1A1LMNA
SCHEMBL510088 0.85 MAPT (0.74) MAPTTYMPCASP6ALDH1A1LMNA
SCHEMBL292962 0.83 MAPT (0.71) MAPTTYMPCASP6ALDH1A1LMNA
SCHEMBL293278 0.81 MAPT (0.68) MAPTTYMPCASP6ALDH1A1LMNA
SCHEMBL10725654 0.80 MAPT (0.67) MAPTTYMPCASP6ALDH1A1LMNA
SCHEMBL28045624 0.80 MAPT (0.67) MAPTTYMPCASP6ALDH1A1LMNA
SCHEMBL19793666 0.79 MAPT (0.65) MAPTCASP6L3MBTL1ELANE
SCHEMBL19793677 0.79 MAPT (0.65) MAPTCASP6L3MBTL1ELANE
SCHEMBL19793664 0.79 MAPT (0.65) MAPTALDH1A1L3MBTL1ELANE

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
CN-106588851-B A method of tandem reaction, which is catalyzed, in water phase synthesizes different coumarin derivative 南阳师范学院 2019-03-08 CN disclosed
CN-105218506-B A method of isocoumarin class compound is prepared by o-Halogen benzoic acids methyl esters and terminal alkyne 湖南大学 2018-09-04 CN disclosed
CN-105218506-A A kind of method being prepared Isocoumarin compounds by o-Halogen benzoic acids methyl esters and terminal alkyne UNIV HUNAN 2016-01-06 CN disclosed