SCHEMBL29964161

SCHEMBL29964161

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.44
ALDH1A1 P00352 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
F10 P00742 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KLK7 P49862 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL29965289 0.76 F10 (0.47) KIF11ALDH1A1F10NPC1RAB9A
SCHEMBL19652449 0.72 KIF11 (0.58) KIF11KMT2AMEN1LMNA
SCHEMBL29964989 0.72 KIF11 (0.50) KIF11ALDH1A1CRHBPCRHR2F10
SCHEMBL14356107 0.71 KIF11 (0.49) KIF11ALDH1A1F10NPC1RAB9A
SCHEMBL30610089 0.71 KIF11 (0.49) KIF11ALDH1A1F10NPC1RAB9A
SCHEMBL18053873 0.70 KIF11 (0.52) KIF11ALDH1A1NPC1RAB9AKMT2A
SCHEMBL16590556 0.70 CA4 (0.46) KIF11ALDH1A1F10NPC1RAB9A
SCHEMBL15360307 0.70 CA4 (0.50) KIF11ALDH1A1NPC1RAB9ALMNA
SCHEMBL17542012 0.69 KIF11 (0.48) KIF11ALDH1A1CRHBPCRHR2F10
SCHEMBL17542010 0.69 KIF11 (0.48) KIF11ALDH1A1CRHBPCRHR2F10

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