SCHEMBL571001

SCHEMBL571001

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.43
CTSK P43235 1/20 0.42
LMNA P02545 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
PRSS1 P07477 2/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
TP53 P04637 1/20 0.38
HTR1A P08908 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
SCHEMBL569745 0.96 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL30366973 0.91 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL1769313 0.84 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL30396323 0.82 CYP1A2 (0.43) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL14695672 0.81 CYP2D6 (0.64) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL1073794 0.79 CYP1A2 (0.48) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL4577204 0.78 CYP1A2 (0.49) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL3677522 0.78 CYP2D6 (0.43) CYP2D6CYP1A2CYP2C19TSHRCTSK
SCHEMBL30367133 0.77 CYP1A2 (0.48) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL6546118 0.77 ALDH1A1 (0.69) CYP2D6CYP1A2ALDH1A1TSHRCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397658-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS Braskem America, Inc. (US) 2018-11-07 EP disclosed
EP-3397657-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS Braskem America, Inc. (US) 2018-11-07 EP disclosed
EP-3397659-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS Braskem America, Inc. (US) 2018-11-07 EP disclosed
WO-2017117439-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA, INC. (US) 2017-07-06 WO disclosed
WO-2017117443-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA, INC. (US) 2017-07-06 WO disclosed
WO-2017117433-A1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA, INC. (US) 2017-07-06 WO disclosed
EP-2601224-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2013-06-12 EP disclosed
WO-2012017040-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-02-09 WO disclosed