SCHEMBL7206942

SCHEMBL7206942

CC(C)c1[c]c(C(C)C)c(C(=O)Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.42
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 2/20 0.35
PPARG P37231 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 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
SCHEMBL7212819 0.79 TTR (0.53) GAAATMTDP1HPGD
SCHEMBL7206945 0.79 POLQ (0.45) POLQSLC6A2SLC6A4OPRK1ALDH1A1
SCHEMBL7206388 0.78 TSHR (0.41) ALDH1A1GAAPOLBHPGD
SCHEMBL7206345 0.74 GABRA1 (0.41) SLC6A2TDP1HPGD
SCHEMBL7212856 0.72 AKR1B1 (0.41) OPRK1ALDH1A1MAOAKDM4EPOLB
SCHEMBL7206377 0.71 LMNA (0.37) ALDH1A1POLBHPGD
SCHEMBL9911552 0.71 POLQ (0.56) POLQSLC6A2SLC6A4OPRK1ALDH1A1
SCHEMBL6971669 0.69 POLQ (0.57) POLQALDH1A1MAOAMAOBEPHX2
SCHEMBL7206924 0.68 SOAT2 (0.39)
SCHEMBL538805 0.68 POLB (0.58) POLQALDH1A1MAOAMAOBEPHX2

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