SCHEMBL20140332

SCHEMBL20140332

O=Cc1cc(C(=O)O)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.44
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 1/20 0.37
ALB P02768 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MIF P14174 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NSD2 O96028 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL20140570 0.82 ERN1 (0.40) ERN1KDM4EASPHKDM8KEAP1
SCHEMBL20140064 0.82 KDM4E (0.40) ERN1KDM4EASPHKDM8KEAP1
SCHEMBL5872835 0.79 KDM4E (0.52) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL10083809 0.78 ERN1 (0.47) ERN1KDM4EASPHKDM8KEAP1
SCHEMBL26122042 0.77 ERN1 (0.46) ERN1KDM4EALDH1A1POLBTDP1
SCHEMBL363928 0.77 KEAP1 (0.50) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL31258575 0.77 KEAP1 (0.50) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL268435 0.77 ERN1 (0.39) ERN1KDM4EALDH1A1POLBTDP1
SCHEMBL10111663 0.77 ERN1 (0.39) ERN1KDM4EALDH1A1POLBTDP1
SCHEMBL1713733 0.77 KDM4E (0.54) KDM4EASPHKDM8KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed