SCHEMBL7629923

SCHEMBL7629923

C[SiH](C)[Ti](NC(=O)C1CCCCC1)(c1ccccc1)(c1ccccc1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.36
CYP2C19 P33261 2/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
P2RX7 Q99572 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
SCHEMBL6857282 0.84 NPC1 (0.43) NPC1RAB9AHPGDCYP2C19ALDH1A1
SCHEMBL5856430 0.83 NPC1 (0.39) NPC1RAB9AHPGDCYP2C19KCNK3
SCHEMBL5853698 0.83 NPC1 (0.39) NPC1RAB9AHPGDCYP2C19KCNK3
SCHEMBL5852882 0.82 NPC1 (0.40) NPC1RAB9AHPGDCYP2C19LMNA
SCHEMBL7636915 0.82 ALDH1A1 (0.39) NPC1RAB9AHPGDCYP2C19LMNA
SCHEMBL5855923 0.78 HPGD (0.37) NPC1RAB9AHPGDCYP2C19KCNK3
SCHEMBL5853361 0.78 HPGD (0.37) NPC1RAB9AHPGDCYP2C19KCNK3
SCHEMBL5854050 0.77 NPC1 (0.37) NPC1RAB9AHPGDCYP2C19KCNK3
SCHEMBL9587137 0.70 NPC1 (0.41) NPC1RAB9AHPGDCYP2C19KCNK3
SCHEMBL5852744 0.70 RAB9A (0.42) NPC1RAB9AHPGDLMNAALDH1A1

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