SCHEMBL7046356

SCHEMBL7046356

CCCc1c(OCc2ccccc2)ccc(C=O)c1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
GAA P10253 1/20 0.39
ERN1 O75460 2/20 0.39
LMNA P02545 2/20 0.39
MAPK14 Q16539 1/20 0.38
GCK P35557 1/20 0.38
LIPE Q05469 1/20 0.38
SRC P12931 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7046194 0.82 SMN1; SMN2 (0.43) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10959657 0.82 ERN1 (0.48) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL7044020 0.78 SMN1; SMN2 (0.47) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL7037967 0.76 PRMT5 (0.38) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4567003 0.75 FFAR4 (0.46) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10956480 0.74 ABCB1 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10956472 0.74 LTB4R (0.39) MAPTL3MBTL1SMN1; SMN2ERN1LMNA
SCHEMBL16095408 0.74 ERN1 (0.50) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL8322535 0.72 GCK (0.51) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL8154576 0.72 GCK (0.60) MAPTL3MBTL1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed