SCHEMBL8926050

SCHEMBL8926050

CC(=O)S[C@H]1C[C@@H](CSCC(=O)NCC(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
HPGD P15428 2/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.33
HTT P42858 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
SCHEMBL8693776 1.00 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8690161 0.92 ALDH1A1 (0.34) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8695345 0.90 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8925234 0.88 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8691214 0.88 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8926061 0.88 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8691045 0.88 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8690163 0.87 HTR2A (0.35) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8921870 0.87 HTR2A (0.35) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8693771 0.86 ALDH1A1 (0.35) ALDH1A1MAPTDPP8DPP9HPGD

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-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed