SCHEMBL8488397

SCHEMBL8488397

COC(=O)CCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ALOX5 P09917 5/20 0.44
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TERT O14746 1/20 0.40
CNR2 P34972 3/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL8488429 0.96 ALOX5 (0.46) KMT2AALOX5TAS1R3TAS1R1CA12
SCHEMBL8485278 0.85 ALOX5 (0.59) KMT2AALOX5TAS1R3TAS1R1CA1
SCHEMBL8488779 0.84 CA12 (0.48) KMT2AALOX5TAS1R3TAS1R1CA12
SCHEMBL8489068 0.84 CA12 (0.48) KMT2AALOX5TAS1R3TAS1R1CA12
SCHEMBL8484730 0.84 ALOX5 (0.63) KMT2AALOX5TAS1R3TAS1R1CA1
SCHEMBL8485248 0.84 ALOX5 (0.63) KMT2AALOX5TAS1R3TAS1R1CA1
SCHEMBL17833173 0.81 CNR1 (0.46) KMT2AALOX5TAS1R3TAS1R1CA12
SCHEMBL8488598 0.79 ALOX5 (0.50) KMT2AALOX5TAS1R3TAS1R1ALDH1A1
SCHEMBL8487220 0.79 ALOX5 (0.50) KMT2AALOX5TAS1R3TAS1R1ALDH1A1
SCHEMBL8487988 0.76 ALOX5 (0.50) ALOX5CA2TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO claimed
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO disclosed