SCHEMBL8694603

SCHEMBL8694603

CN(C(=O)O)C(=O)N(C)C(=O)CCSCC1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
ABCB1 P08183 1/20 0.30

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
SCHEMBL8925236 1.00 CCR5 (0.35) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8694615 0.91 ALDH1A1 (0.34) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8923758 0.91 ALDH1A1 (0.34) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8921898 0.89 ALDH1A1 (0.36) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8696188 0.89 ALDH1A1 (0.36) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8924545 0.88 CCR5 (0.34) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8924296 0.87 MAPT (0.36) ALDH1A1MAPTHPGD
SCHEMBL8694952 0.87 MAPT (0.36) ALDH1A1MAPTHPGD
SCHEMBL8693094 0.86 ALDH1A1 (0.37) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8923966 0.86 ALDH1A1 (0.37) CCR5ALDH1A1MAPTHPGDTDP1

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