SCHEMBL1786033

SCHEMBL1786033

CCC(C)(C)C(CC)(OC(=O)c1ccccc1)C(C)(C)OC(=O)c1ccccc1.CCC(OC(=O)c1ccccc1)(C(C)C(C)C)C(C)(C)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
PDCD1 Q15116 1/20 0.33

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
SCHEMBL4835893 0.90 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL4834688 0.86 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1785699 0.81 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1786798 0.80 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784948 0.77 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1786031 0.77 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1786374 0.77 CYP2D6 (0.54) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1788704 0.76 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784033 0.72 CYP2D6 (0.55) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1784086 0.71 CYP1A2 (0.47) 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-3486263-A2 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE W.R. Grace & CO. - CONN. (US) 2019-05-22 EP disclosed
EP-2185600-B1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE GRACE W R & CO (US) 2018-10-31 EP disclosed
US-9796796-B2 Self-limiting catalyst composition with No silane W. R. GRACE & CO.-CONN. (US) 2017-10-24 US disclosed
US-20110124491-A1 Self-Limiting Catalyst Composition with No Silane W. R. GRACE & CO.-CONN. 2011-05-26 US disclosed
EP-2185600-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE Dow Global Technologies Inc. (US) 2010-05-19 EP disclosed
WO-2009029447-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-05 WO disclosed