SCHEMBL5721167

SCHEMBL5721167

CC1=Cc2c(ccc(C)c2-c2ccccc2C)[CH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
MAP2 P11137 1/20 0.34
MYC P01106 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CASP3 P42574 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
SENP8 Q96LD8 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HBB P68871 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G7 Q13093 1/20 0.32

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
SCHEMBL5721124 0.86 NUDT1 (0.34) MYCCA1CA2CA9
SCHEMBL5721158 0.85 ALDH1A1 (0.33) MYCPTGS2ALDH1A1L3MBTL1
SCHEMBL5721236 0.83 NPC1 (0.38) HEXAHEXBNPC1RAB9ASMN1; SMN2
SCHEMBL5721154 0.82 CA12 (0.35) NPC1RAB9ASMN1; SMN2CASP3SENP7
SCHEMBL5721472 0.82 HEXA (0.36) HEXAHEXBMAP2PTGS1PTGS2
SCHEMBL5721152 0.80 HEXA (0.40) HEXAHEXBPTGS1PTGS2
SCHEMBL5721687 0.80 HEXA (0.32) HEXAHEXB
SCHEMBL6652271 0.78 HTR7 (0.35) MYCNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL5721804 0.77 HEXA (0.32) HEXAHEXB
SCHEMBL5721736 0.76 HEXA (0.34) HEXAHEXB

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed