SCHEMBL27367054

SCHEMBL27367054

NCc1ccc(OC(=O)CCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PRSS1 P07477 3/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
FFAR1 O14842 3/20 0.42
ST14 Q9Y5Y6 1/20 0.41
TPSAB1 Q15661 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAOB P27338 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TMPRSS15 P98073 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27367053 0.93 KMT2A (0.59) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL27491122 0.90 KMT2A (0.47) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL27770061 0.85 KMT2A (0.53) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL17449174 0.84 KMT2A (0.55) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL18613656 0.84 KMT2A (0.53) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL27491822 0.82 BCL9 (0.57) KMT2ALMNAALDH1A1MAPTHTT
Succinic Acid SCHEMBL15708313 0.81 KMT2A (0.55) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL27769733 0.81 KMT2A (0.55) KMT2ALMNAALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL4433825 0.81 BCL9 (0.55) KMT2ALMNAALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL27803547 0.80 KMT2A (0.64) KMT2AALDH1A1MAPTFFAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066766-C Diketopyrrolopyrrole pigment with high chroma CIBA SC HOLDING AG (CH) 2001-06-06 CN disclosed
CN-1113251-A Diketopyrrolopyrrole pigment with high chroma CIBA GEIGY AG (CH) 1995-12-13 CN disclosed