SCHEMBL990905

SCHEMBL990905

N#Cc1c(C=CC(=O)OCC(COC(=O)C=Cc2cccc(-c3ccccc3)c2C#N)(COC(=O)C=Cc2cccc(-c3ccccc3)c2C#N)COC(=O)C=Cc2cccc(-c3ccccc3)c2C#N)cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 1/20 0.38
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 1/20 0.36
AKR1B10 O60218 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
SCHEMBL28930591 0.88 ALDH1A1 (0.37) ALOX5MAPTL3MBTL1NPY1RNPY2R
SCHEMBL39304 0.87 ALDH1A1 (0.48) ALOX5MAPTL3MBTL1PDCD1CD274
SCHEMBL39303 0.87 ALDH1A1 (0.48) ALOX5MAPTL3MBTL1PDCD1CD274
SCHEMBL28434084 0.85 ALDH1A1 (0.33) ALOX5MAPTL3MBTL1NPY1RNPY2R
SCHEMBL5960780 0.85 APP (0.41) ALOX5MAPTL3MBTL1NPY1RNPY2R
SCHEMBL2692264 0.81 APP (0.45) ALOX5KDM4EALDH1A1LMNAAKR1B10
SCHEMBL1451542 0.81 PTGER3 (0.50) MAPTPDCD1CD274PTGER1PTGER4
SCHEMBL4287188 0.81 PTGER3 (0.50) MAPTPDCD1CD274PTGER1PTGER4
SCHEMBL29777954 0.80 ALDH1A1 (0.38) ALOX5MAPTL3MBTL1NPY1RNPY2R
SCHEMBL9433677 0.79 PTGER1 (0.41) L3MBTL1PDCD1CD274PTGER1PTGER4

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-112867754-A Resin sheet 积水化学工业株式会社 2021-05-28 CN disclosed
US-20110003914-A1 RESIN COMPOSITION AND MULTILAYER RESIN FILM EMPLOYING THE SAME SEKISUI CHEMICAL CO., LTD. (JP) 2011-01-06 US disclosed