SCHEMBL8033918

SCHEMBL8033918

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
POLQ O75417 1/20 0.38
GRIK1 P39086 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL8033922 0.95 MLYCD (0.47) MLYCDMAPK1MAPTLMNATHRB
SCHEMBL8034026 0.92 MAPK1 (0.47) MLYCDMAPK1MEN1HTTRAB9A
SCHEMBL8030236 0.92 MAPK1 (0.48) MLYCDMAPK1MEN1HTTRAB9A
SCHEMBL8033743 0.90 MAPK1 (0.46) MLYCDMAPK1MEN1HTTRAB9A
SCHEMBL8036317 0.89 MAPK1 (0.45) MLYCDMAPK1MEN1HTTRAB9A
SCHEMBL8030567 0.88 MAPK1 (0.43) MAPK1MAPTLMNAMEN1HTT
SCHEMBL8030733 0.88 MEN1 (0.44) MAPK1MAPTLMNATHRBRXFP1
SCHEMBL8030428 0.88 MAPK1 (0.43) MLYCDMAPK1MEN1HTTRAB9A
SCHEMBL8033874 0.88 SMN1; SMN2 (0.43) MAPK1MAPTLMNATHRBMEN1
SCHEMBL8036208 0.87 MEN1 (0.48) MLYCDMAPK1MAPTMEN1HTT

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed