SCHEMBL7212840

SCHEMBL7212840

CC(C)c1[c]c(C(C)C)c(C(=O)C(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 13/20 0.44
CES1 P23141 11/20 0.44
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 2/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL7211283 0.77 PTGS2 (0.40) CES2CES1LMNAMAPTSMN1; SMN2
SCHEMBL7207547 0.77 L3MBTL1 (0.43) CES2CES1LMNAMAPTSMN1; SMN2
SCHEMBL7212843 0.75 CES2 (0.52) CES2CES1LMNAMAPTSMN1; SMN2
SCHEMBL10440558 0.71 CES2 (0.56) CES2CES1LMNAMAPTSMN1; SMN2
SCHEMBL7206358 0.71 HDAC3 (0.37)
Benzil SCHEMBL28144199 0.69 CES2 (0.74) CES2CES1LMNAMAPTSMN1; SMN2
Benzil SCHEMBL28706871 0.68 CES2 (0.64) CES2CES1LMNAMAPTSMN1; SMN2
Benzil SCHEMBL11293167 0.67 CES2 (0.70) CES2CES1LMNAMAPTSMN1; SMN2
SCHEMBL8574337 0.67 CES2 (0.78) CES2CES1MAPTRAB9AALDH1A1
Benzil SCHEMBL4832229 0.66 CES2 (0.88) CES2CES1LMNAMAPTSMN1; SMN2

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