SCHEMBL27928895

SCHEMBL27928895

O=CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
EPHX2 P34913 1/20 0.48
CASP3 P42574 2/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
OPRD1 P41143 1/20 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
SCHEMBL31652687 1.00 KMT2A (0.70) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL12833414 0.99 KMT2A (0.72) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL571382 0.96 KMT2A (0.67) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL27282863 0.93 KMT2A (0.65) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL1893763 0.91 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31031847 0.91 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL793384 0.89 KMT2A (0.85) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL7403546 0.89 KMT2A (0.68) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL6285024 0.88 KMT2A (0.70) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL6364079 0.87 KMT2A (0.70) KMT2AEPHX2CASP3TLR2

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
CN-1950343-B Amine-based basic compound and use thereof KUREHA CORP 2013-06-19 CN disclosed