SCHEMBL9202402

SCHEMBL9202402

COc1ccc(CSC2CC(C(N)=O)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 3/20 0.44
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM1A O60341 1/20 0.38
LMNA P02545 2/20 0.38
IDO1 P14902 2/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL19912952 0.90 HTRA1 (0.44) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL8435103 0.90 HTRA1 (0.44) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL8435358 0.90 HTRA1 (0.44) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL7177077 0.90 HTRA1 (0.44) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL5405039 0.90 HTRA1 (0.44) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL5409683 0.89 HTRA1 (0.46) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL9202881 0.87 HTRA1 (0.42) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL6942572 0.87 HTRA1 (0.42) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL5406518 0.86 HTRA1 (0.42) HTRA1DPP4DPP7PPARGPPARA
SCHEMBL7144450 0.86 HTRA1 (0.42) HTRA1DPP4DPP7PPARGPPARA

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-0210883-B1 Derivatives of penem DAIICHI SEIYAKU CO (JP) 1995-02-01 EP disclosed
US-5079357-A Bactericides DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed
US-4962202-A PENICILLIN INTERMEDIATES DAIICHI SEIYAKU CO., LTD. (JP) 1990-10-09 US disclosed
EP-0210883-A2 Derivatives of penem DAIICHI SEIYAKU CO., LTD. (JP) 1987-02-04 EP disclosed