SCHEMBL27551981

SCHEMBL27551981

CC(C)C1=Cc2c(-c3cccc4ccccc34)cccc2C1[Ti](Cl)(Cl)(C1C(C(C)C)=Cc2c(-c3cccc4ccccc34)cccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.30
PTPN1 P18031 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
SCHEMBL8357760 0.84 ENPP3 (0.32) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8457974 0.82
SCHEMBL8355722 0.82 MAPT (0.34) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8361870 0.81 KDM4E (0.34) MAPTSMN1; SMN2
SCHEMBL8357284 0.81 ALOX15 (0.30)
Hydrochloric Acid SCHEMBL8460660 0.81 NPC1 (0.34) NPC1MAPTRAB9ASMN1; SMN2ALOX5
SCHEMBL8361857 0.79 ALOX15 (0.31)
SCHEMBL27478572 0.79 NPC1 (0.36) NPC1MAPTRAB9ASMN1; SMN2ALOX5
SCHEMBL5890213 0.78 NPC1 (0.35) NPC1MAPTRAB9ASMN1; SMN2ALOX5
SCHEMBL4467659 0.78 MAPT (0.33) NPC1MAPTRAB9ASMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190399-A Process for converting achiral meso form or racemate of ansa-metallocene complex or mixtures thereof into one of its enantiomers BASF AG (DE) 1998-08-12 CN disclosed