SCHEMBL22278395

SCHEMBL22278395

CC(CCOCCCNC(=O)OC(C)(C)C)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ IDO1 P14902 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CTSS P25774 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL13334305 0.87 MAPT (0.55) MAPTIDO1L3MBTL1MEN1KMT2A
SCHEMBL21780574 0.87 SYK (0.52) MAPTIDO1L3MBTL1MEN1KMT2A
SCHEMBL13622021 0.84 IDO1 (0.56) MAPTIDO1L3MBTL1MEN1KMT2A
SCHEMBL15738439 0.81 LMNA (0.71) MAPTIDO1L3MBTL1MEN1KMT2A
SCHEMBL20825713 0.81 LMNA (0.71) MAPTIDO1L3MBTL1MEN1KMT2A
SCHEMBL21106167 0.80 L3MBTL1 (0.56) MAPTIDO1L3MBTL1SYKLMNA
SCHEMBL25957572 0.80 L3MBTL1 (0.56) MAPTIDO1L3MBTL1SYKLMNA
SCHEMBL30316999 0.80 SMN1; SMN2 (0.59) MAPTIDO1L3MBTL1SYKLMNA
SCHEMBL20196937 0.80 L3MBTL1 (0.58) MAPTIDO1L3MBTL1SYKLMNA
SCHEMBL19608402 0.80 SYK (0.60) MAPTIDO1MEN1KMT2ASYK

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
WO-2020151682-A1 MACROCYCLIC IMMUNOMODULATOR 成都先导药物开发股份有限公司 2020-07-30 — — WO disclosed
Send feedback