SCHEMBL7628547

SCHEMBL7628547

C[SiH](C)[Zr](C)(C)(NC(=O)C1CCCCC1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
P2RX7 Q99572 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CETP P11597 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HDAC3 O15379 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 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
SCHEMBL5855675 0.86 NPC1 (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5854780 0.86 NPC1 (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5852838 0.85 NPC1 (0.40) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL7626477 0.84 NPC1 (0.38) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL7633227 0.83 ALDH1A1 (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5854766 0.78 HPGD (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5854870 0.78 HPGD (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5853516 0.77 HPGD (0.37) NPC1RAB9ACYP2C19ALDH1A1HPGD
SCHEMBL9587137 0.72 NPC1 (0.41) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL6857282 0.72 NPC1 (0.43) NPC1RAB9ACYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849288-B1 Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORP (JP) 2002-11-27 EP disclosed
US-5906955-A Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORPORATION (JP) 1999-05-25 US disclosed
EP-0849288-A1 Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORPORATION (JP) 1998-06-24 EP disclosed