SCHEMBL6553517

SCHEMBL6553517

[Li]C1C(C)=Cc2c(C)cccc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2C P28335 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2B P41595 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
SCHEMBL5605202 0.78 HTR2C (0.31) CYP1A2CYP2A6HTR2CHTR2AHTR2B
SCHEMBL8598491 0.77 HTR2C (0.35) CYP1A2CYP2A6HTR2CALDH1A1CA1
SCHEMBL8597631 0.77 ALDH1A1 (0.34) CYP1A2CYP2A6HTR2CALDH1A1CA1
SCHEMBL7032913 0.75 ALDH1A1 (0.33) CYP1A2CYP2A6HTR2CALDH1A1CA1
Hydrochloric Acid SCHEMBL4237085 0.75 SLC6A2 (0.32) CYP1A2CYP2A6HTR2CALDH1A1CA1
Hydrochloric Acid SCHEMBL8152646 0.75 CYP1A2 (0.31) CYP1A2CYP2A6HTR2CALDH1A1CA1
Hydrochloric Acid SCHEMBL7597088 0.75 HTR2C (0.37) CYP1A2CYP2A6HTR2CALDH1A1CA1
Hydrochloric Acid SCHEMBL4946925 0.75 CYP1A2 (0.31) CYP1A2CYP2A6HTR2CALDH1A1CA1
Fluoride Ion SCHEMBL7640478 0.75 CYP1A2 (0.31) CYP1A2CYP2A6HTR2CALDH1A1CA1
Hydrochloric Acid SCHEMBL8152642 0.75 ALDH1A1 (0.37) CYP1A2CYP2A6HTR2CALDH1A1CA1

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
CN-104370681-A Synthesis method of vinyl-bridged dialkylindene compound SHANGHAI ADVANCED RES INST CAS 2015-02-25 CN disclosed
EP-1077215-B1 Asymmetric silicon-bridged metallocenes useful as catalysts in the polymerization of a-olefins, process for their preparation and use of said metallocenes for the polymerization of a-olefins SOLVAY (BE) 2004-02-18 EP disclosed
EP-1077215-A1 Asymmetric silicon-bridged metallocenes useful as catalysts in the polymerization of a-olefins, process for their preparation and use of said metallocenes for the polymerization of a-olefins SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2001-02-21 EP disclosed