SCHEMBL9760582

SCHEMBL9760582

CC(=O)Oc1c(OC(C)=O)n(C)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 6/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 3/20 0.51
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.47
F2 P00734 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 2/20 0.44
SRC P12931 2/20 0.44

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
SCHEMBL9588769 0.82 ALDH1A1 (0.72) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6173251 0.81 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6578990 0.76 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30218346 0.75 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9256830 0.74 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29368738 0.73 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6907648 0.73 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15154427 0.72 SRC (0.60) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11780453 0.72 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29206051 0.71 KCNA3 (0.56) KDM4EALDH1A1SMN1; SMN2LMNAHPGD

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-5049381-A Skin coloring compositions containing indoles and quaternary ammonium salts CLAIROL INCORPORATED (US) 1991-09-17 US disclosed