SCHEMBL9547514

SCHEMBL9547514

COC(=O)C1(C(=O)OC(C)(C)C)C2CCCCC21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
EPHX1 P07099 2/20 0.36
DGAT1 O75907 1/20 0.34
BTK Q06187 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
CACNA1B Q00975 3/20 0.31
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
CPB2 Q96IY4 1/20 0.30
EPHX2 P34913 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL9416802 0.87 MAPT (0.41) EPHX1MAPTNPSR1EPHX2
SCHEMBL9416729 0.77 MAPT (0.38) EPHX1MAPTNPSR1MEN1KMT2A
SCHEMBL4825718 0.72 NPSR1 (0.42) DGAT1BTKMAPTNPSR1MEN1
SCHEMBL16987661 0.71 DGAT1 (0.40) DGAT1NPSR1MEN1MAPK1KMT2A
SCHEMBL30288761 0.70 CHRM2 (0.37) DGAT1BTKMAPTNPSR1CHRM2
SCHEMBL25642139 0.70 CHRM2 (0.37) DGAT1BTKMAPTNPSR1CHRM2
SCHEMBL31547413 0.69 LMNA (0.38) MAPTNPSR1MEN1KMT2A
SCHEMBL31547416 0.69 LMNA (0.38) MAPTNPSR1MEN1KMT2A
SCHEMBL5435228 0.67 MAPK1 (0.41) CHRM2CHRM1CHRM3MEN1MAPK1
SCHEMBL21679086 0.67 DGAT1 (0.40) DGAT1NPSR1MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278914-B1 PROCESS FOR THE PREPARATION OF TERT.-ALKYL ESTERS OF SUCCINIC ACID CIBA-GEIGY AG (CH) 1993-09-22 EP disclosed
US-4904814-A CATALYTIC TRANSESTERIFICATION OF METHYL OR ETHYL ESTERS WITH TERTIARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1990-02-27 US disclosed
EP-0278914-A2 Process for the preparation of tert.-alkyl esters of succinic acid CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed