SCHEMBL22133786

SCHEMBL22133786

CC(=O)NCCC(C=O)NC(=O)CCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.47
▸ FOLH1 Q04609 1/20 0.43
▸ PLA2G10 O15496 2/20 0.39
▸ SIRT5 Q9NXA8 2/20 0.38
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PAOX Q6QHF9 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL26206539 0.86 ADRA1A (0.57) ADRA1AFOLH1PLA2G10SIRT5PLA2G2C
SCHEMBL24486692 0.82 PLA2G2C (0.42) FOLH1PLA2G10PLA2G2CCTSK
SCHEMBL173035 0.82 PLA2G2C (0.42) FOLH1PLA2G10PLA2G2CCTSK
SCHEMBL17813082 0.81 PLA2G2C (0.46) PLA2G10PLA2G2CMAPK1MEN1KMT2A
SCHEMBL12295242 0.79 PLA2G2C (0.44) ADRA1APLA2G10PLA2G2CMAPK1EPHX2
SCHEMBL20380824 0.79 FOLH1 (0.58) ADRA1AFOLH1SIRT5EPHX2
SCHEMBL14240724 0.79 PLA2G2C (0.44) ADRA1APLA2G10PLA2G2CMAPK1EPHX2
SCHEMBL12664911 0.78 PLA2G2C (0.49) FOLH1PLA2G10PLA2G2CMAPK1MEN1
SCHEMBL25666774 0.77 PLA2G2C (0.53) PLA2G10PLA2G2CMAPK1MEN1KMT2A
SCHEMBL17793312 0.77 EPHX2 (0.50) ADRA1APLA2G10KDM4EMAPK1EPHX2

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
WO-2020127796-A2 POLYPEPTIDES HAVING PEPTIDOGLYCAN DEGRADING ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES A/S (DK) 2020-06-25 — — WO disclosed
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