SCHEMBL8065096

SCHEMBL8065096

CCCCCCCCCCCCC(Oc1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 5/20 0.49
PPARA Q07869 4/20 0.49
CTRC Q99895 1/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
ALDH1A1 P00352 2/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.43
PSMB5 P28074 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ALDH2 P05091 1/20 0.43
PTPN1 P18031 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL27478671 0.95 PPARG (0.51) KDM4EKMT2AL3MBTL1PPARGPPARA
SCHEMBL30639267 0.87 CTRC (0.54) KDM4EKMT2APPARGPPARACTRC
SCHEMBL27709799 0.87 KDM4E (0.47) KDM4EKMT2AL3MBTL1CNR1CNR2
SCHEMBL10519685 0.84 PPARG (0.52) KDM4EKMT2APPARGPPARAALDH1A1
SCHEMBL8935882 0.83 PPARG (0.67) KDM4EKMT2APPARGPPARAALDH1A1
SCHEMBL8821208 0.83 PPARG (0.67) KDM4EKMT2APPARGPPARAALDH1A1
SCHEMBL14565998 0.83 CTRC (0.48) KDM4EPPARGPPARACTRCALDH1A1
SCHEMBL568454 0.82 CTRC (0.50) KDM4EKMT2APPARGPPARACTRC
SCHEMBL11521450 0.82 KMT2A (0.53) KMT2APPARGPPARACTRCALDH1A1
SCHEMBL14565994 0.82 CTRC (0.50) KDM4EKMT2APPARGPPARACTRC

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-100484617-C N- (alpha-aryloxy) acyl taurate surfactant and preparation method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-05-06 CN disclosed
CN-101108323-A N- (alpha-aryloxy) acyl taurate surfactant and preparation method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2008-01-23 CN disclosed
US-6096494-A HIGH COUPLING ACTIVITY, NARROWED BANDWIDTH, DECREASED PH SENSITIVITY, AND IMPROVED IMAGE DYE STABILITY EASTMAN KODAK COMPANY (US) 2000-08-01 US disclosed