SCHEMBL7517540

SCHEMBL7517540

CCC(CC)COc1ccc(S)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
APP P05067 2/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SCN4A P35499 4/20 0.34
FFAR1 O14842 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
SCHEMBL5144061 0.86 ALDH1A1 (0.44) LMNATSHRTDP1
SCHEMBL9143121 0.82 FFAR1 (0.50) NQO1LMNATSHRMAPTFFAR1
SCHEMBL9143127 0.82 FFAR1 (0.50) NQO1LMNATSHRMAPTFFAR1
SCHEMBL4397519 0.79 NQO1 (0.41) NQO1APPLMNATSHRPOLB
SCHEMBL18426854 0.79 SCN4A (0.49) NQO1APPSCN4A
SCHEMBL16572200 0.79 KDM4E (0.49) NQO1APPTSHRMAPTTDP1
SCHEMBL10718066 0.79 TDP1 (0.59) NQO1APPTSHRMAPTTDP1
SCHEMBL7528014 0.78 MAPT (0.47) LMNATSHRPOLBMAPTNPSR1
SCHEMBL11068214 0.78 LMNA (0.57) LMNAMAPTSCN4A
SCHEMBL14553340 0.76 LTA4H (0.42) NQO1APPTSHRMAPTCYP2C9

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-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed