SCHEMBL8488779

SCHEMBL8488779

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 1/20 0.44
ALOX5 P09917 4/20 0.43
TERT O14746 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ELANE P08246 2/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TACR3 P29371 2/20 0.40
PKM P14618 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL8489068 1.00 CA12 (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL17833173 0.86 CNR1 (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL8488397 0.84 KMT2A (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL8487220 0.83 ALOX5 (0.50) KMT2AALOX5TERTTAS1R3TAS1R1
SCHEMBL8488598 0.83 ALOX5 (0.50) KMT2AALOX5TERTTAS1R3TAS1R1
SCHEMBL8488429 0.83 ALOX5 (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL16898283 0.80 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL16898282 0.80 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL8485278 0.79 ALOX5 (0.59) CA1CA2KMT2AALOX5TERT
SCHEMBL8484730 0.78 ALOX5 (0.63) CA1CA2KMT2AALOX5TAS1R3

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