SCHEMBL27700413

SCHEMBL27700413

CCC(=O)c1ccc(CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
RIPK1 Q13546 1/20 0.44
RIPK3 Q9Y572 1/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL3135380 0.84 KMT2A (0.53) KMT2ARIPK1RIPK3MAPTSMN1; SMN2
SCHEMBL4745549 0.83 ALDH1A1 (0.50) KMT2ARIPK1RIPK3MAPTSMN1; SMN2
SCHEMBL19085086 0.82 MTNR1A (0.47) RIPK1RIPK3MAPTSMN1; SMN2MTNR1A
SCHEMBL4961300 0.81 MTNR1A (0.47) KMT2ARIPK1RIPK3MAPTSMN1; SMN2
SCHEMBL5042255 0.81 KMT2A (0.67) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL9895432 0.81 CA12 (0.53) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2650122 0.80 LOXL2 (0.54) KMT2ARIPK1RIPK3MAPTSMN1; SMN2
SCHEMBL15955709 0.79 KMT2A (0.60) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL13308118 0.79 CYP4F2 (0.47) KMT2ARIPK1RIPK3MAPTRAB9A
SCHEMBL1283948 0.79 CA2 (0.50) RIPK1RIPK3MTNR1AMTNR1BLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102127023-B 7-membered ring compound, process for producing the same, and use thereof DAIICHI SANKYO CO LTD 2013-02-06 CN disclosed
CN-102127023-A 7-membered ring compound, process for producing the same, and use thereof DAIICHI ASUBIO PHARMA CO LTD 2011-07-20 CN disclosed
CN-101160290-B 7-membered ring compound, process for producing the same, and pharmaceutical use thereof DAIICHI SANKYO CO LTD 2011-01-19 CN disclosed
CN-101495463-A Seven-membered ring compound, production method thereof and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2009-07-29 CN disclosed
CN-101160290-A 7-membered ring compound, process for producing the same, and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2008-04-09 CN disclosed