SCHEMBL21160109

SCHEMBL21160109

C=Cc1cccc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.38
MGLL Q99685 1/20 0.36
UNG P13051 1/20 0.35
RHOA P61586 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
P4HB P07237 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
DRD4 P21917 1/20 0.34
F2 P00734 3/20 0.33
F10 P00742 3/20 0.33
PTGS2 P35354 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL14860981 0.85 MAPK1 (0.48) MAPK1KMT2AMGLLTDP1ALDH1A1
SCHEMBL723217 0.82 ALDH1A1 (0.35) MAPK1KMT2AMGLLTDP1ALDH1A1
SCHEMBL13950373 0.81 MAPK1 (0.43) MAPK1KMT2AMGLLALDH1A1
SCHEMBL15305953 0.81 MAPK1 (0.43) MAPK1KMT2AMGLLALDH1A1
SCHEMBL18751747 0.79 MAPK1 (0.42) MAPK1KMT2AMGLLALDH1A1
SCHEMBL4897945 0.79 CA12 (0.46) MAPK1KMT2AMGLLP4HBALDH1A1
SCHEMBL317700 0.78 PLA2G7 (0.50) MAPK1KMT2ATDP1TP53ALDH1A1
SCHEMBL11595533 0.78 MAPK1 (0.43) MAPK1KMT2AMGLLALDH1A1
SCHEMBL1284517 0.78 TSHR (0.48) MAPK1KMT2AALDH1A1
SCHEMBL317765 0.78 MAPK1 (0.43) MAPK1KMT2AMGLLF2FAAH

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
EP-2660249-B1 PEPTIDE DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2019-07-10 EP disclosed