SCHEMBL9738733

SCHEMBL9738733

C=CCOC(=O)N1C[C@@H](SCc2ccc(OC)cc2)C[C@H]1C=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 3/20 0.35

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
SCHEMBL9738245 0.88 HTRA1 (0.36) HTRA1DPP4DPP7MAPKAPK2CA1
SCHEMBL9738251 0.88 HTRA1 (0.36) HTRA1DPP4DPP7MAPKAPK2CA1
SCHEMBL9738363 0.87 HTRA1 (0.37) HTRA1DPP4DPP7MAPKAPK2CA1
SCHEMBL9737498 0.86 CYP19A1 (0.42) HTRA1DPP4DPP7MAPKAPK2CA1
SCHEMBL5414235 0.84 DPP4 (0.43) HTRA1DPP4DPP7ALDH1A1TP53
SCHEMBL8095363 0.81 GAA (0.44) ALDH1A1SMN1; SMN2
SCHEMBL5401344 0.73 HTRA1 (0.37) HTRA1DPP4DPP7ALDH1A1TP53
SCHEMBL5401348 0.73 HTRA1 (0.37) HTRA1DPP4DPP7ALDH1A1TP53
SCHEMBL7145127 0.73 HTRA1 (0.37) HTRA1DPP4DPP7ALDH1A1TP53
SCHEMBL8113869 0.73 GAA (0.37) HTRA1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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