SCHEMBL3402657

SCHEMBL3402657

Cc1c(CC(C)(C)Nc2ccc(C(=O)O)nc2)oc2ccc(OCC3CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.42
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
BACE1 P56817 1/20 0.36
KDR P35968 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
P2RX3 P56373 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
SCHEMBL719083 0.83 GCK (0.42) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL719057 0.78 DGAT1 (0.42) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL721152 0.71 DGAT1 (0.38) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL457981 0.70 P4HTM (0.56) KDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL26676605 0.68 SLC26A4 (0.62) KDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL718396 0.68 DGAT1 (0.37) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL718963 0.66 KDM4E (0.53) KDM4ENPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL720443 0.64 GCK (0.46) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL26676574 0.64 SLC26A4 (0.60) KDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL26676526 0.64 SLC26A4 (0.60) KDM4ESMN1; SMN2L3MBTL1ALDH1A1

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-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed