SCHEMBL13645000

SCHEMBL13645000

CNC(=O)CN(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
ESRRG P62508 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ESRRB O95718 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL13645002 0.87 ALDH1A1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL13645030 0.86 OPRM1 (0.44) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL13645018 0.86 CA2 (0.46) CYP1A1ESRRGALDH1A1MAPTLMNA
SCHEMBL13645024 0.85 ALDH1A1 (0.47) ESRRGALDH1A1MAPTLMNAMEN1
SCHEMBL13645013 0.84 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL13645023 0.83 KEAP1 (0.50) ALDH1A1MAPTLMNAPOLBGAA
SCHEMBL8483627 0.82 ESRRG (0.48) ESRRGALDH1A1MAPTLMNAPOLB
SCHEMBL13644980 0.81 CA1 (0.50) CYP1A1MAPTPOLBGAAMEN1
SCHEMBL13645034 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPOLBGAA
SCHEMBL13603850 0.80 ALDH1A1 (0.40) CYP1A1ESRRGALDH1A1MAPTLMNA

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
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed