SCHEMBL1042166

SCHEMBL1042166

CCC(C)c1ccc(CCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.46
DAO P14920 1/20 0.44
KCNH2 Q12809 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SIGMAR1 Q99720 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
RORC P51449 1/20 0.39
SLC13A5 Q86YT5 1/20 0.37

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
SCHEMBL548052 0.90 GRIA4 (0.53) GRIA4TP53TSHRRORC
SCHEMBL18092983 0.90 GRIA4 (0.53) GRIA4TP53TSHRRORC
SCHEMBL9838746 0.86 ESR1 (0.45) TSHR
SCHEMBL11513887 0.85 GRIA4 (0.49) GRIA4TSHRRORC
SCHEMBL14169335 0.81 GRIA4 (0.46) GRIA4TP53TSHRRORC
SCHEMBL12675624 0.81 GRIA4 (0.46) GRIA4TP53TSHRRORC
SCHEMBL4977873 0.80 CA1 (0.54) GRIA4TSHR
SCHEMBL14924830 0.80 APP (0.60) TSHR
SCHEMBL14866960 0.80 APP (0.60) TSHR
Hydrochloric Acid SCHEMBL6348120 0.80 LMNA (0.57) GRIA4TSHRRORC

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-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed