SCHEMBL9847186

SCHEMBL9847186

CC(C)(C)[Si](C)(C)OC1CC([C@@H]2C[C@H]2CNC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CCR5 P51681 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.35
ABCB1 P08183 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9847187 1.00 DPP8 (0.38) DPP8DPP9MAPTALDH1A1CCR5
SCHEMBL10390672 0.84 GAA (0.45) DPP8DPP9MAPTALDH1A1GAA
SCHEMBL10390670 0.84 GAA (0.45) DPP8DPP9MAPTALDH1A1GAA
SCHEMBL9365346 0.81 DPP8 (0.39) DPP8DPP9MAPTALDH1A1CCR5
SCHEMBL9365352 0.81 DPP8 (0.39) DPP8DPP9MAPTALDH1A1CCR5
SCHEMBL9020242 0.81 ALDH1A1 (0.43) MAPTALDH1A1CCR5HPGDSMN1; SMN2
SCHEMBL9520614 0.81 MMP2 (0.43) MAPTALDH1A1CCR5HPGDGAA
SCHEMBL8108227 0.80 DPP8 (0.38) DPP8DPP9MAPTALDH1A1CCR5
SCHEMBL9605061 0.80 ABCB1 (0.39) DPP8DPP9MAPTALDH1A1CCR5
SCHEMBL8923324 0.80 ALDH1A1 (0.40) MAPTALDH1A1CCR5HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435320-A1 2(2-Cyclopropylpyrrolidin-4-ylthio)-carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-07-03 EP disclosed