SCHEMBL11110055

SCHEMBL11110055

CCCCc1ccc(OC(=O)OCCCN(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NFKB1 P19838 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
THRA P10827 2/20 0.41

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
SCHEMBL11114790 0.86 CYP1A2 (0.45) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL10686879 0.85 MAPT (0.46) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL11118344 0.83 SCN1A (0.44) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL11043810 0.81 ALDH1A1 (0.57) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL11114735 0.79 ALDH1A1 (0.54) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL11116202 0.79 ALDH1A1 (0.45) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL11114279 0.76 ALDH1A1 (0.60) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL11115121 0.75 NFKB1 (0.55) ALDH1A1TSHRL3MBTL1NFKB1KDM4E
SCHEMBL5132689 0.75 MAPT (0.48) ALDH1A1TSHRL3MBTL1KDM4EMEN1
SCHEMBL27574487 0.74 CHEK2 (0.48) L3MBTL1NFKB1MAPTHRH3ATM

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