SCHEMBL19955094

SCHEMBL19955094

NC(=O)CCC(NC=O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
BMP1 P13497 1/20 0.32
NOD1 Q9Y239 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24158545 1.00 KMT2A (0.39) KMT2AALOX15BLMPMP22MMP2
SCHEMBL7046561 0.86 KMT2A (0.47) KMT2AALOX15BLMPMP22MMP2
SCHEMBL2920459 0.86 KMT2A (0.47) KMT2AALOX15BLMPMP22MMP2
SCHEMBL2923058 0.86 FOLH1 (0.44) KMT2ABLMPMP22
SCHEMBL21202116 0.86 FOLH1 (0.44) KMT2ABLMPMP22
SCHEMBL20366013 0.81 GABRR1 (0.32)
SCHEMBL7846388 0.79
SCHEMBL8342661 0.78 ECE1 (0.39)
SCHEMBL18403408 0.78 ECE1 (0.39)
SCHEMBL30088685 0.78 ADH1B (0.36) CA1NOD1

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-9913790-B2 Antiperspirant emulsion sticks CONOPCO, INC. (US) 2018-03-13 US disclosed