SCHEMBL4010101

SCHEMBL4010101

CCC(CC)Oc1ccc(NC(=O)C(=O)O)cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.44
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
BLK P51451 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1241535 0.91 ABL1 (0.46) ABL1KCNH2L3MBTL1EPHX2POLB
SCHEMBL4006520 0.82 CHRM3 (0.40) EPHX2FFAR4
SCHEMBL12907207 0.79 C5AR1 (0.53) ABL1PPARDFFAR4
SCHEMBL1241755 0.79 ABL1 (0.50) ABL1KCNH2EPHX2LCKFYN
SCHEMBL4006770 0.77 EPHX2 (0.45) ABL1L3MBTL1EPHX2KMT2AMEN1
SCHEMBL1241636 0.76 NOS3 (0.36) ABL1LCKFYNCSF1RLYN
SCHEMBL13580916 0.76 ABL1 (0.59) ABL1KCNH2L3MBTL1EPHX2LCK
SCHEMBL1242849 0.75 ABL1 (0.46) ABL1KCNH2L3MBTL1EPHX2LCK
SCHEMBL1239679 0.75 ABL1 (0.46) ABL1KCNH2L3MBTL1EPHX2LCK
SCHEMBL1241471 0.74 CYP19A1 (0.46) POLBKMT2AMEN1GAANPSR1

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-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed