SCHEMBL5086290

SCHEMBL5086290

CCC(C)c1cccc2c1[C]c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
HTT P42858 1/20 0.30
LMNA P02545 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
SCHEMBL5087097 0.83 TSHR (0.39) TSHRRORC
SCHEMBL5086498 0.82 GABRA1 (0.39) TSHRL3MBTL1LMNA
SCHEMBL8731749 0.73 TSHR (0.64) TSHRRORCKDM4EL3MBTL1ATM
SCHEMBL5090542 0.72 GABRA1 (0.39) L3MBTL1LMNA
SCHEMBL994607 0.71 TSHR (0.73) TSHRRORCKDM4EL3MBTL1ATM
SCHEMBL8731742 0.68 TSHR (0.52) TSHRRORCKDM4EL3MBTL1ATM
SCHEMBL5086401 0.68
SCHEMBL5086685 0.68 GABRA1 (0.31)
SCHEMBL5551237 0.67 TSHR (0.55) TSHRKDM4EATM
Hydrogen Peroxide SCHEMBL3675725 0.67 TSHR (0.74) TSHRRORCKDM4EL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed