SCHEMBL4577602

SCHEMBL4577602

CC(C)(COC(=O)c1ccc(Cl)cc1)OC(=O)c1ccc(Cl)cc1.CC(C)(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPK1 P28482 2/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL1788034 0.93 GAA (0.49) GAAMEN1KMT2AMAPTNPSR1
SCHEMBL4577511 0.86 CA1 (0.41) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL4577049 0.86 HPGD (0.42) GAAMEN1KMT2AMAPTCYP2D6
SCHEMBL24138177 0.79 MAPT (0.44) KMT2AMAPTCYP3A4CYP2D6CYP1A2
SCHEMBL1784582 0.79 RAB9A (0.49) GAAKMT2AMAPTCYP3A4CYP2D6
SCHEMBL811551 0.78 GAA (0.53) GAAMEN1KMT2AMAPTNPSR1
SCHEMBL5085499 0.78 GAA (0.47) GAAMEN1KMT2AMAPTNPSR1
SCHEMBL1782699 0.77 HPGD (0.47) GAAMEN1KMT2AMAPTCYP2D6
SCHEMBL1787203 0.77 CA1 (0.46) MEN1KMT2AMAPTNPSR1CYP2D6
SCHEMBL1785409 0.77 MAPK1 (0.65) KMT2AMAPTCYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
EP-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed