SCHEMBL8694255

SCHEMBL8694255

CS(=O)(=O)OC1CC(CSCCC(=O)NCC(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 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
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8695032 0.92 ALDH1A1 (0.36) CCR5ALDH1A1MAPTDPP8DPP9
SCHEMBL8924002 0.92 ALDH1A1 (0.36) CCR5ALDH1A1MAPTDPP8DPP9
SCHEMBL8689889 0.90 CCR5 (0.33) CCR5ALDH1A1MAPTDPP8OPRK1
SCHEMBL8690849 0.88 DPP8 (0.35) ALDH1A1MAPTDPP8DPP9GAA
SCHEMBL8694755 0.88 DPP8 (0.36) ALDH1A1MAPTDPP8DPP9GAA
SCHEMBL9519504 0.87 ALDH1A1 (0.37) CCR5ALDH1A1MAPTOPRK1HPGD
SCHEMBL10699990 0.87 ALDH1A1 (0.37) CCR5ALDH1A1MAPTOPRK1HPGD
SCHEMBL8694620 0.86 ALDH1A1 (0.35) CCR5ALDH1A1MAPTDPP8DPP9
SCHEMBL8924386 0.86 ALDH1A1 (0.36) CCR5ALDH1A1MAPTOPRK1HPGD
SCHEMBL8694252 0.86 ALDH1A1 (0.36) CCR5ALDH1A1MAPTOPRK1HPGD

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
US-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed