SCHEMBL4968773

SCHEMBL4968773

COC(=O)C(C)Cc1ccc(OC)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
NNMT P40261 1/20 0.44
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
FFAR1 O14842 1/20 0.43
KLKB1 P03952 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
DAO P14920 1/20 0.41
PABPC1 P11940 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX3 P56373 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 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
SCHEMBL6263178 0.88 ACACB (0.45) ACACBKMT2AMEN1KDM4EMAPT
SCHEMBL13550944 0.85 SIRT2 (0.44) ACACBPKMFFAR1ALDH1A1
SCHEMBL9835011 0.84 KMT2A (0.47) ACACBKMT2AMEN1KDM4EMAPT
SCHEMBL3604889 0.84 ACACB (0.49) ACACBKMT2AMEN1KDM4EMAPT
SCHEMBL5759509 0.84 ACACB (0.46) ACACBKMT2AMEN1KDM4EMAPT
SCHEMBL7081683 0.84 ACACB (0.49) ACACBKMT2AMEN1KDM4EMAPT
SCHEMBL12241779 0.83 P2RX3 (0.43) KMT2AMEN1LMNAFFAR1SMN1; SMN2
SCHEMBL18057307 0.82 CPB2 (0.56)
SCHEMBL762459 0.82 RAB9A (0.50) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL23792321 0.81 KLKB1 (0.45) ACACBKMT2AMEN1KDM4EMAPT

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-2008113835-A1 PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE NOVARTIS AG (CH) 2008-09-25 WO disclosed