SCHEMBL6663992

SCHEMBL6663992

CC(C)(OOOC(=O)CCCCCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
CNR2 P34972 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL9842510 0.94 MAPK1 (0.50) MAPK1ALDH1A1ALOX15CYP3A4CYP2C9
SCHEMBL29517671 0.89 MAPK1 (0.44) MAPK1ALDH1A1ALOX15GPR84FFAR1
SCHEMBL5184632 0.87 MAPK1 (0.43) MAPK1ALDH1A1ALOX15CYP3A4CYP2C9
SCHEMBL28707657 0.81 MAPK1 (0.46) MAPK1KMT2AKDM4EMEN1TSHR
SCHEMBL28543060 0.81 MAPK1 (0.46) MAPK1KMT2AKDM4EMEN1TSHR
SCHEMBL9860856 0.81 MAPK1 (0.50) MAPK1KMT2AKDM4EMEN1
SCHEMBL30138490 0.81 MAPK1 (0.46) MAPK1KMT2AKDM4EMEN1TSHR
SCHEMBL216989 0.80 MAPK1 (0.44) MAPK1ALDH1A1ALOX15CYP3A4CYP2C9
SCHEMBL6661053 0.78 TDP1 (0.40) MAPK1GPR84FFAR1FFAR4MAPT
SCHEMBL29640504 0.78 MAPK1 (0.48) MAPK1ALDH1A1ALOX15CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220837-B1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL NV (NL) 2004-08-18 EP claimed