SCHEMBL29964869

SCHEMBL29964869

COc1ccc(C(N[C@@H](C(=O)O)[C@H](C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 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
SCHEMBL6746239 0.88 MME (0.42) KIF11ALDH1A1LMNAMMP9MMP1
SCHEMBL6746235 0.88 MME (0.42) KIF11ALDH1A1LMNAMMP9MMP1
SCHEMBL9510086 0.87 MME (0.41) KIF11ALDH1A1LMNAMMP9MMP1
SCHEMBL9510102 0.87 MME (0.41) KIF11LMNAMMP9MMP1MMP2
SCHEMBL29964989 0.84 KIF11 (0.50) KIF11NPC1RAB9AALDH1A1KMT2A
SCHEMBL5413934 0.81 KMT2A (0.43) KIF11KMT2ACES1PTGS2L3MBTL1
SCHEMBL1109144 0.81 KMT2A (0.43) KIF11KMT2ACES1PTGS2L3MBTL1
SCHEMBL12379297 0.81 KMT2A (0.43) KIF11KMT2ACES1PTGS2L3MBTL1
SCHEMBL1105488 0.81 KMT2A (0.43) KIF11KMT2ACES1PTGS2L3MBTL1
SCHEMBL5413928 0.81 KMT2A (0.43) KIF11KMT2ACES1PTGS2L3MBTL1

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