SCHEMBL4334726

SCHEMBL4334726

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 7/20 0.38
NPSR1 Q6W5P4 4/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 4/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MITF O75030 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL498159 0.89 EPHX1 (0.42) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL4331089 0.83 CYP19A1 (0.46) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL4343190 0.81 EPHX1 (0.46) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL3147326 0.81 EPHX1 (0.46) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL498355 0.81 CYP19A1 (0.42) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL498665 0.75 EPHX1 (0.43) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL498183 0.75 EPHX1 (0.43) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL5010580 0.72 CYP19A1 (0.61) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL21331615 0.71 TDP1 (0.46) EPHX1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL19020458 0.71 TDP1 (0.46) EPHX1CYP19A1ALDH1A1NPSR1MAPT

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