SCHEMBL4630982

SCHEMBL4630982

CC(C)OC(=O)On1ccc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
MAPK1 P28482 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
NTSR1 P30989 1/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL4630078 0.85 NOTUM (0.47) NOTUMMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL4496878 0.78 NOTUM (0.55) NOTUMMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL4629920 0.78 NOTUM (0.44) NOTUMMAPK1L3MBTL1KMT2ATSHR
SCHEMBL6206132 0.78 NOTUM (0.44) NOTUMMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL4709914 0.78 NOTUM (0.44) NOTUMMAPK1L3MBTL1KMT2ATSHR
SCHEMBL28226817 0.76 KMT2A (0.49) NOTUMMAPK1L3MBTL1KMT2ATSHR
SCHEMBL31033005 0.76 KMT2A (0.49) NOTUMMAPK1L3MBTL1KMT2ATSHR
SCHEMBL4102887 0.76 NOTUM (0.47) NOTUMMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL6470773 0.76 NOTUM (0.43) NOTUMMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL28878881 0.75 LMNA (0.47) NOTUMMAPK1L3MBTL1KMT2ATSHR

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-1799797-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-05-14 EP claimed