SCHEMBL5089856

SCHEMBL5089856

[C]1c2ccccc2-c2cccc(-c3cccc4ccccc34)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP2A6 P11509 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 3/20 0.37
PTPN1 P18031 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
KEAP1 Q14145 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL29350007 0.78 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL25302086 0.78 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL27953 0.78 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL5086311 0.75 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TDP1HPGD
Bromide SCHEMBL8588309 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
Bromide SCHEMBL7106161 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL6077039 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL17836548 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL18174178 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL2638067 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1

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