SCHEMBL2048988

SCHEMBL2048988

[CH]1c2c(-c3ccccc3)cccc2-c2cccc(-c3ccccc3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAPK1 P28482 1/20 0.46
BACE1 P56817 1/20 0.42
DPP4 P27487 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HNF4A P41235 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCAT2 O15382 1/20 0.38
LIMK1 P53667 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
PLK4 O00444 1/20 0.38

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
SCHEMBL216861 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Benzene SCHEMBL28035419 0.75 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL2361430 0.75 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL21447 0.75 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL31290744 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL2391683 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Water SCHEMBL9138909 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL11578595 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL13387362 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL9419397 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed
US-20100093957-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2123685-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed