SCHEMBL5654220

SCHEMBL5654220

CC(C)CCCCCCCCCCCCc1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 2/20 0.67
MEN1 O00255 1/20 0.67
TP53 P04637 1/20 0.67
ALOX5 P09917 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL70013 0.93 TYR (0.66) TYRCYP3A4MAPTMEN1TP53
SCHEMBL29457621 0.86 TYR (0.49) TYRCYP3A4MAPTMEN1TP53
SCHEMBL10783247 0.86 TYR (0.49) TYRCYP3A4MAPTMEN1TP53
SCHEMBL3461803 0.86 TYR (0.49) TYRCYP3A4MAPTMEN1TP53
SCHEMBL31545069 0.85 TYR (0.76) TYRCYP3A4MAPTMEN1TP53
SCHEMBL940625 0.85 TYR (0.76) TYRCYP3A4MAPTMEN1TP53
SCHEMBL8401997 0.85 TYR (0.81) TYRCYP3A4MAPTMEN1TP53
SCHEMBL8398763 0.85 TYR (0.81) TYRCYP3A4MAPTMEN1TP53
SCHEMBL8401879 0.85 TYR (0.81) TYRCYP3A4MAPTMEN1TP53
SCHEMBL8398793 0.85 TYR (0.81) TYRCYP3A4MAPTMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282730-A Compounds with particular structure and anticancer activity and its preparing process YANG ZHENHUA (CN) 2001-02-07 CN claimed
US-7109364-B2 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA 2006-09-19 US disclosed
EP-1259470-A4 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2005-06-15 EP disclosed
CN-1193002-C Compounds with particular structure and anticancer activity and its preparing process YANG ZHENHUA (CN) 2005-03-16 CN disclosed
US-20040034242-A1 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA (US) 2004-02-19 US disclosed
EP-1259470-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD Yang, Zhenhua (US) 2002-11-27 EP disclosed
WO-2001059067-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2001-08-16 WO disclosed
CN-1282730-A Compounds with particular structure and anticancer activity and its preparing process YANG ZHENHUA (CN) 2001-02-07 CN disclosed