SCHEMBL4577348

SCHEMBL4577348

CCCCC(C)(OC(=O)c1ccccc1)C(CC)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CTSK P43235 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 4/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
HTR1A P08908 1/20 0.39
SCN1A P35498 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
PRSS1 P07477 3/20 0.38
CTSG P08311 3/20 0.38
CTRB1 P17538 3/20 0.38
CMA1 P23946 3/20 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
SCHEMBL4577872 0.92 CYP2D6 (0.48) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784502 0.82 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL28438217 0.81 PRSS1 (0.45) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1785294 0.79 MEN1 (0.49) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1070688 0.78 MEN1 (0.54) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL28875160 0.77 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C19LMNATSHR
SCHEMBL1785896 0.77 MEN1 (0.44) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784682 0.77 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784530 0.76 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1071211 0.76 MEN1 (0.51) CYP2D6CYP1A2CYP2C19MEN1KMT2A

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
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 claimed
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 claimed
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 claimed
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
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