SCHEMBL7031827

SCHEMBL7031827

CCCCC1=Cc2c(-c3ccc(C)cc3)cccc2C1[Si](C)(C)C1C(CCCC)=Cc2c(-c3ccc(C)cc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
GCGR P47871 1/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SYK P43405 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
SCHEMBL7036422 0.92 CRHR1 (0.33) CRHR1SMN1; SMN2SYK
SCHEMBL7031378 0.90 HSD11B1 (0.37) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL29287776 0.90 PSMB5 (0.34)
SCHEMBL7033012 0.89 EDNRB (0.32)
SCHEMBL7037024 0.89 HSD11B1 (0.34) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL7034550 0.87 SYK (0.33) CRHR1ADORA3NPC1RAB9ASYK
SCHEMBL7031849 0.87 HSD11B1 (0.37) ADORA3TSHRRAB9ASMN1; SMN2
SCHEMBL7036050 0.87 UCHL3 (0.34)
SCHEMBL7039419 0.87 NPC1 (0.32) ADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7037707 0.86 HSD11B1 (0.36) NPC1TSHRRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620953-B1 Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts BASSELL POLYOLEFINE GMBH (DE) 2003-09-16 US disclosed
EP-1133504-B1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 EP disclosed