SCHEMBL28612697

SCHEMBL28612697

CC(C)(C)OC(=O)c1ccccc1OOOOc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.37

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
SCHEMBL6556774 0.93 ELANE (0.44) ELANEMAPTNPSR1HSD17B10KDM4E
SCHEMBL6556777 0.86 KDM4E (0.53) ELANEMAPTNPSR1HSD17B10KDM4E
SCHEMBL11853507 0.85 HSD17B10 (0.41) ELANEMAPTNPSR1HSD17B10KDM4E
SCHEMBL448369 0.84 ELANE (0.43) ELANEMAPTNPSR1HSD17B10KDM4E
SCHEMBL2711658 0.84 ELANE (0.43) ELANEMAPTNPSR1HSD17B10KDM4E
SCHEMBL934637 0.84 MAPT (0.58) MAPTNPSR1HSD17B10HTTKMT2A
SCHEMBL30111657 0.82 TSHR (0.50) ELANEHSD17B10HTTKMT2ALMNA
SCHEMBL109178 0.82 TSHR (0.50) ELANEHSD17B10HTTKMT2ALMNA
SCHEMBL1282947 0.82 HSD17B10 (0.50) ELANEMAPTNPSR1HSD17B10KDM4E
SCHEMBL3360164 0.82 ELANE (0.42) ELANEMAPTNPSR1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113265129-A Foaming-grade polylactic acid with excellent processing fluidity and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113265029-A Long-chain branched polylactic acid with high melt strength and excellent processing fluidity and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed