SCHEMBL2046256

SCHEMBL2046256

Cc1ccc2c(c1)-c1ccccc1[CH]2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
TDP1 Q9NUW8 5/20 0.39
CYP2A6 P11509 2/20 0.39
PDK2 Q15119 1/20 0.38
ACHE P22303 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ROS1 P08922 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL714162 0.88 TDP1 (0.43) ELANETDP1CYP2A6ACHEALDH1A1
SCHEMBL2047998 0.86 ELANE (0.48) ELANETDP1CYP2A6PDK2ACHE
SCHEMBL29174119 0.85 TDP1 (0.42) ELANETDP1CYP2A6ACHEALDH1A1
SCHEMBL27862645 0.85 TDP1 (0.42) ELANETDP1CYP2A6ACHEALDH1A1
SCHEMBL28302268 0.85 TDP1 (0.42) ELANETDP1CYP2A6ACHEALDH1A1
SCHEMBL27441784 0.84 ELANE (0.47) ELANETDP1CYP2A6PDK2ACHE
SCHEMBL27407137 0.79 ELANE (0.42) ELANETDP1CYP2A6PDK2ACHE
SCHEMBL28219900 0.79 TDP1 (0.37) ELANETDP1CYP2A6ACHEALDH1A1
SCHEMBL18426 0.77 ALDH1A1 (0.44) TDP1ACHELMNATSHRALOX12
SCHEMBL27670655 0.74 ALDH1A1 (0.42) TDP1ACHELMNATSHRALDH1A1

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