SCHEMBL8900720

SCHEMBL8900720

CC(C)C1(C)Oc2cccc(C(=O)O)c2O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MYC P01106 1/20 0.37
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8912902 0.81 ALDH1A1 (0.51) ALOX5MYCALDH1A1ALOX15HSD17B10
SCHEMBL7896462 0.77 CNR1 (0.42) ALOX5MYCALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL9235440 0.73 ALOX5 (0.41) ALOX5MYCALDH1A1ALOX15HSD17B10
SCHEMBL25465411 0.73 GABRA1 (0.38) HPGDTSHRLMNA
SCHEMBL4860502 0.72 ALOX5 (0.43) ALOX5MYCALDH1A1ALOX15KDM4E
SCHEMBL13821303 0.70 KDM4E (0.34) ALOX5ALDH1A1KDM4EMAPTTSHR
SCHEMBL6530620 0.69 ALDH1A1 (0.50) ALOX5MYCALDH1A1ALOX15HSD17B10
Water SCHEMBL27710341 0.67 ALDH1A1 (0.48) ALOX5MYCALDH1A1ALOX15HSD17B10
SCHEMBL27710338 0.67 ALDH1A1 (0.48) ALOX5MYCALDH1A1ALOX15HSD17B10
Water SCHEMBL27730818 0.66 ALDH1A1 (0.46) ALOX5MYCALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9095488-A None JP disclosed
JP-H0995488-A 1,3-BENZODIOXOLES RES DEV CORP OF JAPAN 1997-04-08 JP disclosed