SCHEMBL11598409

SCHEMBL11598409

COc1cc(COC(=O)NC(C)(C)C(=O)O)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1310486 0.79 MAPT (0.46) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL503402 0.78 MEN1 (0.57) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL19396243 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1HIF1A
SCHEMBL28889848 0.76 L3MBTL1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1HIF1A
SCHEMBL20467743 0.75 MEN1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL29230323 0.74 L3MBTL1 (0.45) ALDH1A1L3MBTL1KMT2AMEN1HIF1A
SCHEMBL27728499 0.74 KMT2A (0.49) ALDH1A1L3MBTL1KMT2AMEN1HIF1A
SCHEMBL21286212 0.74 CALM1 (0.49) ALDH1A1NPC1RAB9A
SCHEMBL31326042 0.73 MEN1 (0.52) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28343448 0.73 KMT2A (0.47) ALDH1A1L3MBTL1KMT2AMEN1HIF1A

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
US-4093610-A CYCLIC DODECAPEPTIDE, MULTISTAGE AMERICAN HOME PRODUCTS CORPORATION (US) 1978-06-06 US disclosed