SCHEMBL7956429

SCHEMBL7956429

COc1cc(CN2CCC(CCS(C)(=O)=O)(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HCRTR1 O43613 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 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
SCHEMBL7947626 0.91 KDM4E (0.39) MEN1KMT2AL3MBTL1HTTKDM4E
SCHEMBL7954561 0.88 MEN1 (0.40) MEN1KMT2AHCRTR1GAAL3MBTL1
SCHEMBL7947370 0.87 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1HTTKDM4E
SCHEMBL7958360 0.87 MEN1 (0.40) MEN1KMT2AHCRTR1GAAL3MBTL1
SCHEMBL6996780 0.82 ALDH1A1 (0.44) MEN1KMT2AL3MBTL1HTTKDM4E
SCHEMBL7955948 0.82 MEN1 (0.36) MEN1KMT2AHCRTR1GAAHTT
SCHEMBL7954527 0.80 KDM4E (0.41) MEN1KMT2AL3MBTL1HTTKDM4E
SCHEMBL7955951 0.78 MEN1 (0.36) MEN1KMT2AHCRTR1GAAHTT
SCHEMBL7956133 0.78 KDM4E (0.43) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL6992505 0.77 L3MBTL1 (0.43) MEN1KMT2AGAAL3MBTL1HTT

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed