SCHEMBL7951996

SCHEMBL7951996

CC=CC(=O)OC(O)CCNc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
BTK Q06187 2/20 0.39
MAPT P10636 10/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 4/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSP90AA1 P07900 1/20 0.38
POLB P06746 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL7952001 0.79 MAPT (0.41) MAPTMEN1KMT2AHPGDMAPK1
SCHEMBL98080 0.75 MAPT (0.52) EGFRBTKMAPTMEN1KMT2A
SCHEMBL29210266 0.74 ALDH1A1 (0.44) EGFRBTKMAPTMEN1KMT2A
SCHEMBL9788117 0.73 MAPT (0.50) EGFRBTKMAPTMEN1KMT2A
SCHEMBL26032685 0.73 HCAR2 (0.43) EGFRBTKMAPTMEN1KMT2A
SCHEMBL11302055 0.72 MAPT (0.65) EGFRBTKMAPTMEN1KMT2A
SCHEMBL11302050 0.72 MAPT (0.65) EGFRBTKMAPTMEN1KMT2A
SCHEMBL5177755 0.71 SLC15A1 (0.42) POLBRAB9A
SCHEMBL5177750 0.71 SLC15A1 (0.42) POLBRAB9A
SCHEMBL10526099 0.70 MAPT (0.46) MAPTMEN1KMT2AHPGDMAPK1

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
US-6267148-B1 HEAT-AGING RESISTANCE AND OXYGENATED-GASOLINE RESISTANCE TOKAI RUBBER INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed