SCHEMBL7206945

SCHEMBL7206945

CC(C)c1[c]c(C(C)C)cc(C(=O)Cc2ccccc2C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.45
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
EPHX2 P34913 5/20 0.40
PPARG P37231 3/20 0.40
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ALDH1A1 P00352 2/20 0.38
OPRK1 P41145 1/20 0.38
POLB P06746 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7206942 0.79 POLQ (0.42) POLQMAOBMAOAEPHX2PPARG
SCHEMBL7212823 0.77 L3MBTL1 (0.50) ALDH1A1POLBHDAC1GAATDP1
SCHEMBL538805 0.77 POLB (0.58) POLQMAOBMAOAEPHX2PPARG
SCHEMBL7206391 0.76 MAPT (0.47) ALDH1A1KDM4EGAA
SCHEMBL9911552 0.74 POLQ (0.56) POLQMAOBMAOAEPHX2PPARG
SCHEMBL7206347 0.71 GABRA1 (0.43) SLC6A2
SCHEMBL9162095 0.70 POLQ (0.47) POLQMAOBMAOASLC6A2SLC6A4
SCHEMBL265536 0.70 POLQ (0.59) POLQMAOBMAOAEPHX2ALDH1A1
SCHEMBL31173765 0.70 POLQ (0.59) POLQMAOBMAOAEPHX2ALDH1A1
SCHEMBL7212859 0.70 AKR1B1 (0.45) MAOAALDH1A1OPRK1POLBHDAC8

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-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-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP claimed