SCHEMBL7212843

SCHEMBL7212843

CC(C)c1[c]c(C(C)C)cc(C(=O)C(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 13/20 0.52
CES1 P23141 12/20 0.52
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7211288 0.77 PTGS2 (0.41) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL7207551 0.77 L3MBTL1 (0.56) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL7206391 0.76 MAPT (0.47) CES2CES1LMNASMN1; SMN2MAPT
Benzil SCHEMBL28144199 0.75 CES2 (0.74) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL7206379 0.75 LMNA (0.42) LMNASMN1; SMN2MAPTNPSR1ATM
SCHEMBL7212840 0.75 CES2 (0.44) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL16503702 0.75 CES2 (0.82) CES2CES1MAPTATMRAB9A
Benzil SCHEMBL28706871 0.74 CES2 (0.64) CES2CES1LMNASMN1; SMN2MAPT
Benzil SCHEMBL11293167 0.73 CES2 (0.70) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL7211248 0.73 LMNA (0.57) LMNASMN1; SMN2MAPTALDH1A1GAA

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-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed
EP-0841913-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1998-05-20 EP claimed
WO-1997005868-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1997-02-20 WO claimed