SCHEMBL8727681

SCHEMBL8727681

O=C(O)CCCCCN1C(=O)C(=CC=Cc2ccccc2)SC1=NN=CC=Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.64
▸ MMP2 P08253 1/20 0.64
▸ MMP13 P45452 1/20 0.64
▸ MMP14 P50281 1/20 0.64
▸ MAPT P10636 9/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ RAB9A P51151 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ GPR35 Q9HC97 2/20 0.47
▸ GPR55 Q9Y2T6 2/20 0.47
▸ POLB P06746 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ ALPL P05186 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL8727675 1.00 MMP1 (0.64) MMP1MMP2MMP13MMP14MAPT
SCHEMBL8729717 0.96 MMP1 (0.70) MMP1MMP2MMP13MMP14MAPT
SCHEMBL8729720 0.96 MMP1 (0.70) MMP1MMP2MMP13MMP14MAPT
SCHEMBL8733003 0.86 MAPT (0.65) MMP1MMP2MMP13MMP14MAPT
SCHEMBL8733001 0.86 MAPT (0.65) MMP1MMP2MMP13MMP14MAPT
SCHEMBL9176313 0.82 MMP1 (0.72) MMP1MMP2MMP13MMP14MAPT
SCHEMBL8733295 0.78 MAPT (0.56) MMP1MMP2MMP13MMP14MAPT
SCHEMBL8733294 0.78 MAPT (0.56) MMP1MMP2MMP13MMP14MAPT
SCHEMBL6886335 0.71 MAPT (0.68) MMP1MMP2MMP13MMP14MAPT
SCHEMBL29214806 0.69 MMP1 (0.67) MMP1MMP2MMP13MMP14MAPT

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
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 — — WO disclosed
CN-1034864-C Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1997-05-14 — — CN disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 — — US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 — — EP disclosed
CN-1069728-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1993-03-10 — — CN disclosed
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