SCHEMBL5027520

SCHEMBL5027520

CCCO[Si](OCCC)(OCCC)c1c(C)cccc1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 1/20 0.32
TLR8 Q9NR97 1/20 0.32
DHFR P00374 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MCHR1 Q99705 1/20 0.31
HTR1B P28222 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5552261 0.88 TLR8 (0.36) CYP1A2TLR8DHFRMCHR1TSHR
SCHEMBL5552250 0.83 CYP1A2 (0.39) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL5554342 0.79 NOS2 (0.33) ALDH1A1KDM4EMAPT
SCHEMBL29022755 0.79 HTR1B (0.35) MAPK1ALDH1A1KDM4EHTR1BTSHR
SCHEMBL106489 0.78 TSHR (0.35) TLR8ALDH1A1TSHRACHE
SCHEMBL5140507 0.75 TSHR (0.35) CYP1A2MAPK1CYP2A6ALDH1A1KDM4E
SCHEMBL5031063 0.73 SCN4A (0.40) CYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL974558 0.72 KMT2A (0.33) MAPK1TLR8DHFRALDH1A1KDM4E
SCHEMBL13027881 0.72 CYP1A2 (0.35) CYP1A2CYP2A6
SCHEMBL29992586 0.72 MAPK1 (0.35) CYP1A2MAPK1CYP2A6ALDH1A1KDM4E

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-1999167-A2 ZIEGLER-NATTA CATALYST WITH IN SITU-GENERATED DONOR Novolen Technology Holdings, C.V. (NL) 2008-12-10 EP disclosed
WO-2007106348-A2 ZIEGLER-NATTA CATALYST WITH IN SITU-GENERATED DONOR NOVOLEN TECHNOLOGY HOLDINGS C.V. (NL) 2007-09-20 WO disclosed
US-20070213204-A1 Ziegler-Natta catalyst with in situ-generated donor NOVOLEN TECHNOLOGY HOLDINGS C.V. 2007-09-13 US disclosed