SCHEMBL20769727

SCHEMBL20769727

CCC(C)n1cc(CC(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C4 P17516 1/20 0.48
PTGS1 P23219 1/20 0.48
PLA2G4A P47712 2/20 0.45
LTB4R Q15722 1/20 0.45
ABCB1 P08183 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
METTL3 Q86U44 1/20 0.42
METTL14 Q9HCE5 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCL1 Q07820 1/20 0.39
KMO O15229 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL20769732 0.88 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C4PTGS1PLA2G4A
SCHEMBL20769708 0.82 PLA2G4A (0.53) AKR1C3AKR1C2AKR1C4PTGS1PLA2G4A
SCHEMBL28365715 0.81 CDC25A (0.53) PLA2G4AKDM4EALDH1A1LMNAMCL1
SCHEMBL20769656 0.80 PLA2G4A (0.46) AKR1C3AKR1C2AKR1C4PTGS1PLA2G4A
SCHEMBL20769687 0.80 PLA2G4A (0.46) AKR1C3AKR1C2AKR1C4PTGS1PLA2G4A
SCHEMBL6242130 0.78 KMT2A (0.52) AKR1C3AKR1C2AKR1C4PTGS1KEAP1
SCHEMBL20769701 0.78 ICMT (0.57) AKR1C3AKR1C2AKR1C4PTGS1KEAP1
SCHEMBL20787963 0.76 PDE4B (0.40) KDM4EALDH1A1LMNAPTGDR2KCNH2
SCHEMBL28977349 0.76 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C4PTGS1ABCB1
SCHEMBL29195368 0.74 AKR1C3 (0.42) AKR1C3AKR1C2KDM4EALDH1A1LMNA

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
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed