SCHEMBL7046194

SCHEMBL7046194

CCCc1c(OCc2ccccc2)ccc(C=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
MAPK14 Q16539 2/20 0.42
GAA P10253 1/20 0.41
ERN1 O75460 2/20 0.40
TACR2 P21452 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
LIPE Q05469 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL10959657 0.84 ERN1 (0.48) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL7046356 0.82 MAPT (0.41) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL5071784 0.82 NPC1 (0.50) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL11852626 0.79 NPC1 (0.48) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL4567003 0.77 FFAR4 (0.46) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL1299176 0.76 CCNB2 (0.58) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL10956472 0.76 LTB4R (0.39) SMN1; SMN2MAPTL3MBTL1ERN1TDP1
SCHEMBL10956480 0.76 ABCB1 (0.44) SMN1; SMN2MAPTNPC1RAB9AMAPK1
SCHEMBL16095408 0.76 ERN1 (0.50) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL10603279 0.76 BCHE (0.48) SMN1; SMN2L3MBTL1ERN1MEN1KMT2A

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