SCHEMBL5086498

SCHEMBL5086498

CC(C)c1cccc2c1[C]c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 2/20 0.39
FAAH O00519 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL5086290 0.82 TSHR (0.46) LMNATSHRL3MBTL1
SCHEMBL5086685 0.80 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL8914611 0.69 ALDH1A1 (0.39) CA1CA2LMNACYP1A2CYP3A4
SCHEMBL5086311 0.69 ALDH1A1 (0.38) HPGDDPP4
SCHEMBL5087025 0.69 CA2 (0.39) GABRA1GABRB2CA2TSHRTRPA1
SCHEMBL5090542 0.69 GABRA1 (0.39) GABRA1GABRB2LMNADPP4ANPEP
SCHEMBL167078 0.69 GABRA1 (0.55) GABRA1GABRB2GABRG2GABRB3CA1
SCHEMBL29414063 0.69 GABRA1 (0.55) GABRA1GABRB2GABRG2GABRB3CA1
SCHEMBL5087097 0.68 TSHR (0.39) TSHR
SCHEMBL102781 0.68 MEN1 (0.37) LMNACYP1A2CYP3A4TSHRBLM

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