SCHEMBL29964989

SCHEMBL29964989

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
F10 P00742 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
LDHA P00338 1/20 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
SCHEMBL17542012 0.88 KIF11 (0.48) KIF11SMN1; SMN2NPC1RAB9ACES2
SCHEMBL17542010 0.88 KIF11 (0.48) KIF11SMN1; SMN2NPC1RAB9ACES2
SCHEMBL10901575 0.87 KCNN4 (0.45) KIF11SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL11128706 0.87 KCNN4 (0.45) KIF11SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL9037241 0.87 KCNN4 (0.45) KIF11SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL29964869 0.84 KIF11 (0.47) KIF11SMN1; SMN2NPC1RAB9ACES2
SCHEMBL29964838 0.83 KIF11 (0.46) KIF11SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19347961 0.83 ACP3 (0.43) KIF11SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21947369 0.81 KIF11 (0.45) KIF11SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19347962 0.81 KIF11 (0.45) KIF11SMN1; SMN2NPC1RAB9AALDH1A1

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