SCHEMBL29965330

SCHEMBL29965330

COc1ccc(CC[C@H](N)C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
STAT3 P40763 1/20 0.59
KDM4E B2RXH2 1/20 0.54
ATM Q13315 1/20 0.54
GRIK1 P39086 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIK2 Q13002 1/20 0.52
GRIK3 Q13003 1/20 0.52
CYP19A1 P11511 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TPH1 P17752 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL29378321 1.00 LDHA (0.60) LDHASTAT3KDM4EATMGRIK1
SCHEMBL27484664 0.87 GRIK1 (0.49) LDHASTAT3ATMGRIK1GRIA1
SCHEMBL5345575 0.87 GRIK1 (0.49) LDHASTAT3KDM4EGRIK1GRIA1
SCHEMBL5345580 0.87 GRIK1 (0.49) LDHASTAT3KDM4EGRIK1GRIA1
SCHEMBL27484663 0.87 GRIK1 (0.49) LDHASTAT3ATMGRIK1GRIA1
SCHEMBL27503386 0.87 GRIK1 (0.49) LDHASTAT3ATMGRIK1GRIA1
SCHEMBL22445062 0.87 STAT3 (0.57) LDHASTAT3KDM4EATMCYP19A1
SCHEMBL20683363 0.85 CYP3A4 (0.65) LDHAKDM4EKMT2AALDH1A1AOC3
SCHEMBL10452371 0.85 ALOX5 (0.52) LDHASTAT3KDM4EATMKMT2A
SCHEMBL159001 0.84 LDHA (0.73) LDHAKDM4ETPH1KMT2AALDH1A1

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
EP-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed