SCHEMBL11883192

SCHEMBL11883192

CCCCC(CC)COc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA2 P00918 1/20 0.46
CYP3A4 P08684 1/20 0.46
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
CDK4 P11802 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LTA4H P09960 2/20 0.41

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
SCHEMBL29382086 0.90 CYP3A4 (0.41) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL4913490 0.86 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL1356320 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1CA2CYP3A4LMNA
SCHEMBL1357035 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1CA2CYP3A4LMNA
SCHEMBL11077119 0.83 CDK4 (0.54) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL13322024 0.82 APP (0.48) CDK4LMNAALOX5PPARGPPARA
SCHEMBL3691103 0.82 MAPT (0.47) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8943906 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL18854867 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL13321989 0.81 APP (0.47) ALDH1A1MAPTKMT2AMEN1MAPK1

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-3879307-A Organic compositions containing synergistic antioxidant mixtures MOBIL OIL CORP 1975-04-22 US disclosed