SCHEMBL7157403

SCHEMBL7157403

[Li]C1C(C)=Cc2cccc(-c3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR7 P34969 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2A6 P11509 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2B6 P20813 1/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7618752 0.78 ALDH1A1 (0.37) HTR7HTR1AALDH1A1CYP2A6HSD17B10
SCHEMBL8574024 0.72 CHRNB2 (0.35) PDCD1CD274CHRNB2CHRNA4
SCHEMBL5694274 0.71 PDCD1 (0.37) PDCD1CD274CHRNB2CHRNA4HTR7
SCHEMBL27475455 0.67 BRD4 (0.36) PDCD1CD274HTR7ALDH1A1CYP2A6
SCHEMBL5090888 0.66 LMNA (0.33) DRD2ALDH1A1LMNATDP1TSHR
SCHEMBL25785668 0.64 PDCD1 (0.64) PDCD1CD274HTR7ALDH1A1CYP2A6
SCHEMBL4603520 0.63 PDCD1 (0.36) PDCD1CD274CHRNB2CHRNA4HTR7
SCHEMBL60836 0.63 PDCD1 (0.39) PDCD1CD274ALDH1A1CYP2A6HSD17B10
SCHEMBL3294988 0.62 LMNA (0.53) PDCD1CD274ALDH1A1CYP2A6HSD17B10
SCHEMBL29688196 0.62 LMNA (0.53) PDCD1CD274ALDH1A1CYP2A6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6538082-B2 With an indenyl and partially or fully hydrogenated fluorenyl group SOLVAY POLYOLEFINS EUROPE-BELGIUM (BE) 2003-03-25 US disclosed
US-20020103312-A1 Asymmetric silicon-bridged metallocenes useful as catalysts in the polymerization of alpha-olefins, process for their preparation and use of said metallocenes for the polymerization of alpha-olefins INNOVENE MANUFACTURING BELGIUM NV (BE) 2002-08-01 US disclosed
EP-1213295-A2 Asymmetric silicon-bridged metallocenes useful as catalysts in the polymerization of Alpha-olefins, process for their preparation and use of said metallocenes for the polymerization of Alpha-olefins Solvay Polyolefins Europe-Belgium (Société Anonyme) (BE) 2002-06-12 EP disclosed
EP-0834519-B1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN JAPAN POLYOLEFINS CO LTD (JP) 2002-03-06 EP disclosed
US-6121182-A A METALLOCENE CATALYST FOR POLYMERIZATION OF ISOTACTIC POLYOLEFINS WITH HIGH RIGIDITY AND HIGH MELTING POINT, USEFUL AS INDUSTRIAL MATERIAL FOR AUTOMOBILES JAPAN POLYOLAFINS CO., LTD. (JP) 2000-09-19 US disclosed
EP-0834519-A1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN Japan Polyolefins Co., Ltd. (JP) 1998-04-08 EP disclosed