SCHEMBL11114735

SCHEMBL11114735

CCCCc1ccc(OC(=O)OC)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
NFKB1 P19838 4/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47

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
SCHEMBL11114279 0.85 ALDH1A1 (0.60) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL11115121 0.84 NFKB1 (0.55) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL10686879 0.81 MAPT (0.46) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL3068206 0.80 THRB (0.58) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL11114790 0.79 CYP1A2 (0.45) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL11110055 0.79 ALDH1A1 (0.45) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL13791527 0.79 CASP3 (0.53) ALDH1A1NFKB1MAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL6014377 0.78 CASP3 (0.51) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL11116202 0.77 ALDH1A1 (0.45) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL5530443 0.76 RAB9A (0.53) ALDH1A1NFKB1MAPTMEN1KMT2A

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-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed