SCHEMBL17787484

SCHEMBL17787484

CN(CCCS(=O)(=O)O)CCNC(=O)CCCN1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
TOP2A P11388 4/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.35
DNM1 Q05193 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17787488 0.88 DPP7 (0.35) KMT2AMEN1POLBTOP2ATP53
SCHEMBL17787481 0.81 MGLL (0.41) TP53MAPTPTGS1PTGS2ALDH1A1
SCHEMBL14772133 0.79 PTGS1 (0.36) KMT2AMEN1POLBTP53MAPT
SCHEMBL17787489 0.78 SIRT2 (0.32)
SCHEMBL12680360 0.76 TP53 (0.40) TP53MAPTOPRM1OPRD1OPRK1
SCHEMBL15613431 0.74 PTGS1 (0.57) TP53PTGS1PTGS2DNM1
SCHEMBL12107717 0.74 PTGS1 (0.51) POLBTP53MAPTPTGS1PTGS2
SCHEMBL15739654 0.73 PTGS1 (0.60) TP53PTGS1PTGS2DNM1
SCHEMBL12642012 0.73 PTGS1 (0.54) TP53MAPTPTGS1PTGS2ALDH1A1
SCHEMBL13828057 0.73 PTGS1 (0.46) KMT2AMEN1TP53MAPTPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487480-B2 Zwitterionic reagents SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-11-08 US disclosed
US-9353056-B2 2016-05-31 US disclosed