SCHEMBL7941819

SCHEMBL7941819

CC(=O)Oc1ccc(C2(COC(=O)c3ccccc3)CO2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
ELANE P08246 2/20 0.42
MAPT P10636 6/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
NPBWR1 P48145 1/20 0.39
MEN1 O00255 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL7951721 0.84 ALDH1A1 (0.44) NPSR1MAPTMAPK1KMT2APOLB
SCHEMBL7951783 0.74 NPSR1 (0.57) NPSR1MAPTMAPK1KMT2APOLB
SCHEMBL7951729 0.73 NPSR1 (0.48) NPSR1MAPTMAPK1KMT2APOLB
Ethyl Benzoate SCHEMBL29281029 0.72 ELANE (0.64) NPSR1ELANEMAPTKMT2AALDH1A1
SCHEMBL11985712 0.69 ALDH1A1 (0.43) NPSR1MAPTKMT2AALDH1A1TDP1
Ethyl Benzoate SCHEMBL14931241 0.69 ELANE (0.59) ELANEMAPTMAPK1KMT2AALDH1A1
SCHEMBL10408437 0.68 MAPT (0.56) NPSR1ELANEMAPTMAPK1KMT2A
SCHEMBL15542188 0.67 RAB9A (0.45) NPSR1ELANEMAPTKMT2AATM
SCHEMBL7948949 0.67 NPSR1 (0.71) NPSR1MAPTKMT2APOLBAPEX1
SCHEMBL6670293 0.67 KMT2A (0.67) NPSR1ELANEMAPTKMT2AALDH1A1

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-6255517-B1 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS Zee, Ok Pyo (KR) 2001-07-03 US disclosed