SCHEMBL7952001

SCHEMBL7952001

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
ALDH1A1 P00352 7/20 0.41
GAA P10253 3/20 0.41
HSP90AA1 P07900 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 5/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL16594998 0.81 ALDH1A1 (0.40) MAPTALDH1A1GAASMN1; SMN2HDAC3
SCHEMBL7640048 0.79 MAPT (0.45) MAPTALDH1A1GAAHSP90AA1POLB
SCHEMBL11653130 0.79 HPGD (0.41) MAPTALDH1A1GAAHSP90AA1POLB
SCHEMBL7951996 0.79 EGFR (0.39) MAPTALDH1A1GAAHSP90AA1POLB
SCHEMBL530672 0.78 MAPT (0.38) MAPTALDH1A1GAAHSP90AA1POLB
SCHEMBL1415856 0.76 POLB (0.45) MAPTALDH1A1GAAHSP90AA1POLB
SCHEMBL98079 0.74 MAPT (0.54) MAPTALDH1A1GAAHSP90AA1POLB
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL4231187 0.74 MAPT (0.54) MAPTALDH1A1GAAHSP90AA1POLB
SCHEMBL7639474 0.74 ALDH1A1 (0.45) MAPTALDH1A1GAAHSP90AA1POLB
SCHEMBL6569464 0.74 MAPT (0.44) MAPTALDH1A1GAAMEN1KMT2A

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