SCHEMBL9204263

SCHEMBL9204263

CC(C)NC(=O)CP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 1/20 0.52
MMP1 P03956 4/20 0.50
MMP2 P08253 3/20 0.50
MMP8 P22894 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
MMP9 P14780 1/20 0.50
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP3 P08254 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
Butane SCHEMBL11182752 0.94 CA2 (0.47) ENO1CA2CA4MMP1MMP2
SCHEMBL13024165 0.84 MMP1 (0.48) ENO1CA2CA4MMP1MMP2
SCHEMBL5058464 0.80 CA2 (0.56) ENO1CA2CA4MEN1KMT2A
SCHEMBL11692175 0.74 MMP1 (0.43) ENO1CA2MMP1MMP2MMP8
SCHEMBL13024162 0.74 MMP1 (0.43) ENO1CA2MMP1MMP2MMP8
SCHEMBL5909175 0.73 MEN1 (0.52) CA2MMP1MMP2MMP8CA12
SCHEMBL6234582 0.73 MMP1 (0.57) ENO1CA2CA4MMP1MMP8
SCHEMBL2329365 0.73 TSHR (0.41) CA2MMP1MMP2MMP8CA12
SCHEMBL7482527 0.72
SCHEMBL3313335 0.71 MEN1 (0.50) CA2MMP1MMP2MMP8CA12

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-102770139-B Compound based on Sanglifehrin BIOTICA TECHNOLOGY LTD. (SE) 2016-11-30 CN disclosed
CN-102770139-A Sanglifehrin based compounds BIOTICA TECH LTD 2012-11-07 CN disclosed
EP-0411664-B1 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-01-18 EP disclosed
US-5095013-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0411664-A2 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP disclosed