SCHEMBL8924394

SCHEMBL8924394

CC(SC[C@@H]1C[C@H](OS(C)(=O)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
OPRK1 P41145 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 2/20 0.32

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
SCHEMBL8694261 1.00 HTR2A (0.34) HTR2ADPP8DPP9MMP2MMP9
SCHEMBL8924036 0.90 TDP1 (0.34) HTR2ADPP8DPP9MMP2MMP9
SCHEMBL8689891 0.90 TDP1 (0.34) HTR2ADPP8DPP9MMP2MMP9
SCHEMBL9388494 0.89 HTR2A (0.37) HTR2ADPP8DPP9MMP2MMP9
SCHEMBL8690852 0.89 HTR2A (0.37) HTR2ADPP8DPP9MMP2MMP9
SCHEMBL8694762 0.88 HTR2A (0.37) HTR2ADPP8DPP9MMP2MMP9
SCHEMBL8924002 0.86 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8695032 0.86 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8694624 0.86 ALDH1A1 (0.35) HTR2ADPP8DPP9MMP2MMP9
SCHEMBL8923764 0.86 ALDH1A1 (0.35) HTR2ADPP8DPP9MMP2MMP9

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