SCHEMBL9201438

SCHEMBL9201438

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM1A O60341 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
STS P08842 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 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
SCHEMBL5407051 1.00 HTRA1 (0.39) HTRA1DPP4DPP7ALDH1A1KDM1A
SCHEMBL5412651 0.90 DPP4 (0.41) HTRA1DPP4DPP7ALDH1A1KDM1A
SCHEMBL9202977 0.90 DPP4 (0.41) HTRA1DPP4DPP7ALDH1A1KDM1A
SCHEMBL5402156 0.87 HTRA1 (0.40) HTRA1DPP4DPP7ALDH1A1KDM1A
SCHEMBL9202164 0.86 DPP4 (0.43) HTRA1DPP4DPP7ALDH1A1KDM1A
SCHEMBL5401106 0.86 SIGMAR1 (0.39) HTRA1DPP4DPP7ALDH1A1LMNA
SCHEMBL5409834 0.84 HTRA1 (0.38) HTRA1DPP4DPP7ALDH1A1KDM1A
SCHEMBL9196184 0.83 BCHE (0.39) ALDH1A1LMNAGPR119MEN1KMT2A
SCHEMBL5401313 0.82 RAB9A (0.39) HTRA1DPP4DPP7LMNAMAPT
SCHEMBL7177077 0.81 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1KDM1A

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