SCHEMBL4331089

SCHEMBL4331089

CC1CCC(C(C)C)C(OC(=O)CC(C#N)(NC(=O)OCc2ccccc2)C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
NPSR1 Q6W5P4 7/20 0.43
MAPT P10636 5/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 7/20 0.43
NTSR1 P30989 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MITF O75030 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 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
SCHEMBL498400 0.92 CYP19A1 (0.43) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498355 0.91 CYP19A1 (0.42) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498365 0.83 CYP19A1 (0.46) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498659 0.83 CYP19A1 (0.46) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498142 0.83 CYP19A1 (0.46) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL4334726 0.83 EPHX1 (0.45) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL4329332 0.82 CYP19A1 (0.47) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498333 0.79 CYP19A1 (0.44) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498393 0.79 CYP19A1 (0.44) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498140 0.78 CYP19A1 (0.43) CYP19A1NPSR1MAPTTSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058300-B1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION DAINIPPON SUMITOMO PHARMA CO (JP) 2013-01-09 EP disclosed
EP-2058300-A1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-13 EP disclosed