SCHEMBL28804530

SCHEMBL28804530

C1=Cc2cc3c(cc2[C]1Cc1ccccc1)CCC3.[Hf]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
HTR2B P41595 1/20 0.33
G6PC1 P35575 1/20 0.33
CALM1 P0DP23 1/20 0.33
PARP11 Q9NR21 1/20 0.33
NQO1 P15559 2/20 0.31
CDC25B P30305 1/20 0.31
HTR2C P28335 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 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
SCHEMBL22982711 0.98 NPC1 (0.35) NPC1RAB9AMAOAMAOBHTR2B
SCHEMBL28762178 0.95 PARP11 (0.36) NPC1RAB9AMAOAMAOBHTR2B
SCHEMBL28804535 0.86 MAOA (0.37) NPC1RAB9AMAOAMAOBG6PC1
SCHEMBL23273322 0.84 MAOA (0.38) NPC1RAB9AMAOAMAOBG6PC1
SCHEMBL22982485 0.81 MAOA (0.35) NPC1RAB9AMAOAMAOBCDC25B
SCHEMBL28804563 0.81 LMNA (0.36) NPC1RAB9ACALM1MEN1ALDH1A1
SCHEMBL23273340 0.79 LMNA (0.36) NPC1RAB9ACALM1MEN1ALDH1A1
SCHEMBL28804573 0.79
SCHEMBL22982567 0.77
SCHEMBL28804643 0.76 MAOA (0.34) MAOAMAOB

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
CN-114845980-A Dimer-selective metallocene catalyst, non-aromatic hydrocarbon soluble activator and method for preparing poly alpha-olefin oligomer using the same 埃克森美孚化学专利公司 2022-08-02 CN claimed
CN-114845980-A Dimer-selective metallocene catalyst, non-aromatic hydrocarbon soluble activator and method for preparing poly alpha-olefin oligomer using the same 埃克森美孚化学专利公司 2022-08-02 CN disclosed