SCHEMBL5836023

SCHEMBL5836023

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(C)C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.35
SLC6A4 P31645 4/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX12 P18054 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP2 O95551 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 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
SCHEMBL5859330 0.85 SLC6A4 (0.34) ALOX15SLC6A4MAPTKDM4EALDH1A1
SCHEMBL5836913 0.82 ADRB2 (0.33) HTR7
SCHEMBL3149399 0.82 ENPP3 (0.38) ALOX15SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL4622630 0.81 SLC6A4 (0.34) ALOX15SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL8613248 0.81 SLC6A4 (0.34) ALOX15SLC6A4MAPTKDM4EALDH1A1
SCHEMBL27559648 0.81 SLC6A4 (0.33) ALOX15SLC6A4MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4065888 0.80 HTR7 (0.35) ALOX15SLC6A4MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5167145 0.80 ENPP3 (0.36) ALOX15MAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2522717 0.78 HTR7 (0.33) ALOX15SLC6A4MAPTKDM4EALDH1A1
SCHEMBL5836223 0.78 MAPT (0.39) ALOX15SLC6A4MAPTSMN1; SMN2NPC1

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-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 US disclosed
EP-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 EP disclosed