SCHEMBL5653522

SCHEMBL5653522

CC(C)CCCCCCCCCCCC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
RAB9A P51151 3/20 0.51
FKBP1A P62942 2/20 0.48
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.46
USP2 O75604 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 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
SCHEMBL8972806 1.00 GLA (0.55) GLAL3MBTL1RAB9AFKBP1ATSHR
SCHEMBL12580731 0.93 GLA (0.58) GLAL3MBTL1RAB9AFKBP1ATSHR
SCHEMBL8972662 0.88 GNAI3 (0.51) L3MBTL1LMNACYP3A4ALDH1A1USP2
SCHEMBL105393 0.86 TSHR (0.53) GLAL3MBTL1RAB9AFKBP1ATSHR
SCHEMBL7694058 0.86 GLA (0.65) GLAL3MBTL1RAB9AFKBP1ATSHR
SCHEMBL16604260 0.84 L3MBTL1 (0.54) GLAL3MBTL1RAB9AFKBP1ATSHR
SCHEMBL5654305 0.84 L3MBTL1 (0.61) L3MBTL1ALDH1A1TDP1
SCHEMBL9415751 0.84 GLA (0.67) GLAL3MBTL1RAB9AFKBP1ATSHR
SCHEMBL11543790 0.83 GLA (0.49) GLAL3MBTL1RAB9AFKBP1ATSHR
SCHEMBL5652742 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1

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