SCHEMBL3398271

SCHEMBL3398271

CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR1 P21453 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
SCHEMBL3400108 0.97 TSHR (0.32)
SCHEMBL7196862 0.94 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL3397219 0.94 CNR1 (0.31)
SCHEMBL1455223 0.91 NPC1 (0.36) SMN1; SMN2KDM4EALDH1A1NPC1LMNA
SCHEMBL3425601 0.88 SMN1; SMN2 (0.30) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL3397237 0.86
SCHEMBL3400017 0.85 PTAFR (0.33) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL22411215 0.85 NPC1 (0.33) SMN1; SMN2NPC1LMNATP53RAB9A
SCHEMBL7037878 0.85 NPC1 (0.33) SMN1; SMN2NPC1LMNATP53RAB9A
SCHEMBL14448390 0.84

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
EP-2235071-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS Novolen Technology Holdings, C.V. (NL) 2010-10-06 EP disclosed
WO-2009054833-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS NOVOLEN TECHNOLOGY HOLDINGS, C.V. (NL) 2009-04-30 WO disclosed