SCHEMBL14775871

SCHEMBL14775871

CCc1c(O)c(O)c([N+](=O)[O-])c(C(=O)c2cccs2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DAO P14920 1/20 0.38
PTGS2 P35354 4/20 0.38
PTGS1 P23219 3/20 0.38
ALOX5 P09917 2/20 0.38
HPGDS O60760 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
ADORA1 P30542 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ERCC5 P28715 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
SCHEMBL14775936 0.83 FBP1 (0.37) ALOX5ALDH1A1L3MBTL1GAAPOLB
SCHEMBL14775910 0.78 FTO (0.35) HPGDALDH1A1FEN1
SCHEMBL12082558 0.75 LMNA (0.47) LMNAALOX15MAPTMEN1KMT2A
SCHEMBL12082374 0.74 PKM (0.47) LMNAALOX15MAPTMEN1KMT2A
SCHEMBL14775713 0.74 PKM (0.32) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL9489749 0.72 IMPDH2 (0.38) MAPTL3MBTL1SMN1; SMN2POLB
SCHEMBL1658634 0.71 ALDH1A1 (0.45) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL12082358 0.70 ALDH1A1 (0.44) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL12082383 0.68 MAPT (0.42) LMNAMAPTMEN1KMT2APTGS2
SCHEMBL5590503 0.68 LDHA (0.36) MAPTL3MBTL1SMN1; SMN2

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-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP claimed