SCHEMBL5029792

SCHEMBL5029792

Cc1ccccc1[Si](OCC(C)C)(OCC(C)C)OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 8/20 0.37
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 3/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
NFKB1 P19838 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35
GBA1 P04062 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL5031063 0.78 SCN4A (0.40) SCN4ATSHRLMNACYP1A2SCN1A
SCHEMBL109759 0.78 TSHR (0.38) TSHRLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL30263664 0.76 SCN4A (0.33) SCN4ATSHRLMNACYP1A2SCN1A
SCHEMBL7761269 0.75 SCN4A (0.34) SCN4ATSHRLMNACYP1A2SCN1A
SCHEMBL106489 0.74 TSHR (0.35) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL30401462 0.74 ALDH1A1 (0.41) TSHRALDH1A1MEN1HTTKMT2A
SCHEMBL429249 0.74 ALDH1A1 (0.38) TSHRLMNAALDH1A1MAOASLC6A4
SCHEMBL105712 0.74 TSHR (0.38) SCN4ATSHRLMNACYP1A2SCN1A
SCHEMBL5549263 0.72 LTA4H (0.39) TSHRLMNACYP1A2CYP3A4CYP2D6
SCHEMBL5029804 0.71 NOS2 (0.37) ALDH1A1KDM4E

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