SCHEMBL28665708

SCHEMBL28665708

O=C(O)CCCCc1ccc(C(=O)NCc2ccccc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
EPHX2 P34913 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
FFAR1 O14842 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PPARG P37231 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48

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
SCHEMBL28654120 0.91 SMN1; SMN2 (0.68) SMN1; SMN2EPHX2L3MBTL1FFAR1KMT2A
SCHEMBL28643603 0.84 PPARG (0.67) SMN1; SMN2EPHX2MAPTLMNARXFP1
SCHEMBL28662972 0.82 MEN1 (0.58) SMN1; SMN2EPHX2FFAR1KMT2AMEN1
SCHEMBL2912570 0.81 SMN1; SMN2 (0.82) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL2665739 0.78 ALDH1A1 (0.57) SMN1; SMN2L3MBTL1FFAR1KMT2AMEN1
SCHEMBL18112923 0.76 MAPT (0.56) SMN1; SMN2FFAR1MAPTRXFP1PLAAT3
SCHEMBL14531874 0.76 SMN1; SMN2 (0.73) SMN1; SMN2EPHX2L3MBTL1KMT2AMEN1
SCHEMBL13947384 0.76 SMN1; SMN2 (0.73) SMN1; SMN2EPHX2L3MBTL1KMT2AMEN1
SCHEMBL3590191 0.76 SMN1; SMN2 (0.73) SMN1; SMN2EPHX2L3MBTL1KMT2AMEN1
SCHEMBL95008 0.76 SMN1; SMN2 (0.73) SMN1; SMN2EPHX2L3MBTL1KMT2AMEN1

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
CN-108026028-B Treatment of diabetes and metabolic syndrome with novel dual modulators of soluble epoxide hydrolase and peroxisome proliferator-activated receptors 威斯康星州医药大学股份有限公司 2021-11-09 CN disclosed