SCHEMBL5654720

SCHEMBL5654720

CC(C)CCCCCCCCCCCC(=O)Nc1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.57
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
HDAC3 O15379 7/20 0.46
HDAC4 P56524 7/20 0.46
HDAC1 Q13547 7/20 0.46
HDAC7 Q8WUI4 7/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC10 Q969S8 7/20 0.46
HDAC11 Q96DB2 7/20 0.46
HDAC8 Q9BY41 7/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC9 Q9UKV0 7/20 0.46
HDAC5 Q9UQL6 7/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL14705313 0.98 DEGS1 (0.55) DEGS1LMNAHTTHDAC3HDAC4
SCHEMBL19111000 0.87 LMNA (0.58) DEGS1LMNAHTTGAAMAPK1
SCHEMBL16596333 0.82 LMNA (0.57) DEGS1LMNAHTTMAPK1POLB
SCHEMBL22610228 0.80 LMNA (0.58) DEGS1LMNAHTTGAAMAPK1
SCHEMBL7833644 0.76 LMNA (0.61) LMNAHTTGAAMAPK1ALDH1A1
SCHEMBL10115440 0.76 GRIA1 (0.47) LMNAHTTHDAC6GAAALDH1A1
SCHEMBL16353744 0.75 HTT (0.57) LMNAHTTHDAC3HDAC4HDAC1
SCHEMBL8993787 0.75 SOAT2 (0.64) LMNAHTTALDH1A1MEN1BLM
SCHEMBL19154145 0.74 LMNA (0.63) LMNAHTTGAAMAPK1ALDH1A1
SCHEMBL29191670 0.74 HDAC8 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2

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 10 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 claimed
EP-1259470-A4 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2005-06-15 EP claimed
US-20040034242-A1 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA (US) 2004-02-19 US claimed
EP-1259470-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD Yang, Zhenhua (US) 2002-11-27 EP claimed
WO-2001059067-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2001-08-16 WO 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
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