SCHEMBL5653557

SCHEMBL5653557

CC(C)CCCCCCCCCCCCc1c(C(=O)O)cc(O)c(O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
HMGB1 P09429 1/20 0.34
CXCL12 P48061 1/20 0.34
RARB P10826 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 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
SCHEMBL5163108 1.00 KAT8 (0.38) KAT8PPARAGRIN2DGRIN2AGRIN2B
SCHEMBL5161218 0.88 SMPD1 (0.39) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
SCHEMBL6095675 0.83 KAT8 (0.35) KAT8PPARA
SCHEMBL216726 0.83 KAT8 (0.55) KAT8PPARARARBMCL1
SCHEMBL5709508 0.83 KAT8 (0.55) KAT8PPARARARBMCL1
SCHEMBL51647 0.83 KAT8 (0.55) KAT8PPARARARBMCL1
SCHEMBL221376 0.83 KAT8 (0.55) KAT8PPARARARBMCL1
SCHEMBL9061592 0.83 KAT8 (0.55) KAT8PPARARARBMCL1
SCHEMBL719922 0.83 KAT8 (0.55) KAT8PPARARARBMCL1
SCHEMBL9061472 0.83 KAT8 (0.55) KAT8PPARARARBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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