SCHEMBL4577872

SCHEMBL4577872

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.43
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTR1A P08908 1/20 0.41
SCN1A P35498 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 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
SCHEMBL4577348 0.92 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784682 0.84 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1785294 0.84 MEN1 (0.49) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784502 0.84 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1070688 0.81 MEN1 (0.54) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784530 0.78 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1071211 0.78 MEN1 (0.51) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6721673 0.78 MEN1 (0.51) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1785719 0.78 MEN1 (0.43) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1070440 0.78 CYP2D6 (0.48) 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 3 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 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