SCHEMBL29988892

SCHEMBL29988892

O=C(Nc1ccc(C2CC(=O)C2(Cl)Cl)c(Cl)c1)OCc1ccccc1.O=C1CC(c2ccc(NC(=O)OCc3ccccc3)cc2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
KDM1A O60341 3/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 1/20 0.43
RCOR1 Q9UKL0 2/20 0.43
KDM1B Q8NB78 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SCD O00767 3/20 0.42

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
SCHEMBL23612075 0.94 MGLL (0.50) MGLLKDM1AMAOAMAOBALDH1A1
SCHEMBL29989203 0.90 MGLL (0.54) MGLLKDM1AMAOAMAOBALDH1A1
SCHEMBL23612088 0.90 MGLL (0.54) MGLLKDM1AMAOAMAOBALDH1A1
SCHEMBL23612218 0.86 SCD (0.44) MGLLALDH1A1MAPTNPC1TP53
SCHEMBL30089372 0.86 SCD (0.44) MGLLALDH1A1MAPTNPC1TP53
SCHEMBL23612244 0.85 MGLL (0.47) MGLLKDM1AMAOAMAOBALDH1A1
SCHEMBL5592199 0.84 MGLL (0.50) MGLLKDM1AMAOAMAOBALDH1A1
SCHEMBL5592097 0.80 MGLL (0.54) MGLLKDM1AMAOAMAOBALDH1A1
SCHEMBL23612028 0.78 MGLL (0.52) MGLLKDM1AMAOAMAOBALDH1A1
SCHEMBL29988816 0.78 MGLL (0.52) MGLLKDM1AMAOAMAOBALDH1A1

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-4085051-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed