SCHEMBL6601600

SCHEMBL6601600

CC(C)(C)Cc1cccc(-c2cccs2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.64
LTA4H P09960 1/20 0.49
FFAR1 O14842 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KCNH2 Q12809 1/20 0.43
PSMB5 P28074 2/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CETP P11597 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ATAD2 Q6PL18 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
SCHEMBL11989507 0.86 LTA4H (0.61) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL158066 0.82 PRMT6 (0.68) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL197793 0.81 GGPS1 (0.44) PRMT6
SCHEMBL21408614 0.79 PRMT6 (0.64) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL477487 0.79 PRMT6 (0.63) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL4171352 0.79 PRMT6 (0.63) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL7499623 0.79 PRMT6 (0.63) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL111078 0.79 LTA4H (0.72) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL5018750 0.78 PRMT6 (0.62) PRMT6LTA4HFFAR1CYP17A1CYP11B1
SCHEMBL8212414 0.78 PRMT6 (0.62) PRMT6LTA4HFFAR1CYP17A1CYP11B1

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-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed