SCHEMBL5031063

SCHEMBL5031063

Cc1cccc(C)c1[Si](OCC(C)C)(OCC(C)C)OCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
TSHR P16473 3/20 0.40
SCN1A P35498 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 2/20 0.40
MAOA P21397 2/20 0.40
CYP2C9 P11712 1/20 0.40
KCNK3 O14649 1/20 0.40
CACNA1F O60840 1/20 0.40
KCNK2 O95069 1/20 0.40
GBA1 P04062 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
SCN7A Q01118 1/20 0.40

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
SCHEMBL5029804 0.80 NOS2 (0.37) ALDH1A1
SCHEMBL5029792 0.78 SCN4A (0.37) SCN4ALMNACYP1A2TSHRSCN1A
SCHEMBL5552250 0.77 CYP1A2 (0.39) SCN4ALMNACYP1A2TSHRSCN1A
SCHEMBL5027520 0.73 CYP1A2 (0.33) CYP1A2TSHRALDH1A1CYP2A6
SCHEMBL5028334 0.72 SCN4A (0.35) SCN4ALMNACYP1A2TSHRSCN1A
SCHEMBL429249 0.71 ALDH1A1 (0.38) LMNATSHRMAOASLC6A4ELANE
SCHEMBL5552261 0.71 TLR8 (0.36) CYP1A2TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL5140507 0.69 TSHR (0.35) LMNACYP1A2TSHRHTTMEN1
SCHEMBL5031080 0.69 CYP1A2 (0.39) SCN4ALMNACYP1A2TSHRSCN1A
SCHEMBL8238232 0.68 SCN4A (0.70) SCN4ALMNACYP1A2TSHRSCN1A

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