SCHEMBL7873616

SCHEMBL7873616

[Li]C1c2ccccc2-c2c(C)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
PBRM1 Q86U86 2/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PDK2 Q15119 1/20 0.36
GPR3 P46089 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34

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
Hydrochloric Acid SCHEMBL5345923 0.78 MYC (0.39) MYCHTR2AHTR2BHTR2CHTR7
SCHEMBL23552340 0.78 PDK2 (0.42) MYCHTR2AHTR2BHTR2CHTR7
SCHEMBL8750096 0.78 HTR2B (0.51) MYCHTR2BHTR7CA1CA2
SCHEMBL7141056 0.78 MYC (0.39) MYCHTR2AHTR2BHTR2CHTR7
Hydrochloric Acid SCHEMBL9579939 0.76 MYC (0.38) MYCHTR2AHTR2BHTR2CHTR7
SCHEMBL8416167 0.76 MYC (0.42) MYCHTR2BHTR7CA1CA2
Hydrochloric Acid SCHEMBL7251524 0.76 MYC (0.38) MYCHTR2AHTR2BHTR2CHTR7
SCHEMBL7873111 0.75 NR3C1 (0.55) HTR2AHTR2BHTR2CHTR7CA1
Hydrochloric Acid SCHEMBL5347487 0.75 MYC (0.37) MYCHTR2AHTR2BHTR2CHTR7
Hydrochloric Acid SCHEMBL5358538 0.75 MYC (0.37) MYCHTR2AHTR2BHTR2CHTR7

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
US-6313242-B1 PROVIDING A METALLOCENE CATALYST AND CONTACTING WITH AN ETHYLENICALLY UNSATURATED MONOMER WHICH CONTAINS THREE OR MORE CARBON ATOMS OR IS A SUBSTITUTED VINYL COMPOUND IN PRESENCE OF ORGANOALUMINUM COCATALYST TO PRODUCE ISOSPECIFIC POLYMER FINA TECHNOLOGY, INC. 2001-11-06 US disclosed
US-5945365-A Stereorigid bis-fluorenyl metallocenes FINA TECHNOLOGY, INC. (US) 1999-08-31 US disclosed