SCHEMBL24849949

SCHEMBL24849949

CCCCCCCCCCCCN(CCCCCCCCC(=O)OC(CC)CCCCC)CCCNC(=O)c1cc(C(=O)NCCCN(CCCCCCCCC(=O)OC(CC)CCCCC)CCCCCCCCC(=O)OC(CC)CCCCC)cc(C(=O)NCCCN(CCCCCCCCC(=O)OC(CC)CCCCC)CCCCCCCCC(=O)OC(CC)CCCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ PRKCA P17252 2/20 0.40
▸ PRKCD Q05655 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NAAA Q02083 2/20 0.39
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 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
SCHEMBL22767784 1.00 EPHX2 (0.44) EPHX2MAPTMAPK1THRATHRB
SCHEMBL24849941 1.00 EPHX2 (0.44) EPHX2MAPTMAPK1THRATHRB
SCHEMBL31245911 0.96 THRA (0.45) EPHX2MAPTMAPK1THRATHRB
SCHEMBL25230855 0.96 EPHX2 (0.42) EPHX2MAPTMAPK1THRATHRB
SCHEMBL31245887 0.95 EPHX2 (0.41) EPHX2MAPTMAPK1THRATHRB
SCHEMBL31245889 0.95 TLR2 (0.43) EPHX2MAPTMAPK1THRATHRB
SCHEMBL25279941 0.95 EPHX2 (0.41) EPHX2MAPTMAPK1THRATHRB
SCHEMBL31245892 0.95 LMNA (0.44) EPHX2MAPTMAPK1THRATHRB
SCHEMBL31245929 0.94 PRKCA (0.50) EPHX2MAPTMAPK1THRATHRB
SCHEMBL31245896 0.94 EPHX2 (0.41) EPHX2MAPTMAPK1THRATHRB

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-2023274265-A1 BENZAMIDE COMPOUND AND USE THEREOF 江苏恒瑞医药股份有限公司 2023-01-05 — — WO disclosed
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