SCHEMBL8924545

SCHEMBL8924545

CN(C#N)C(=O)CCSC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8924224 0.93 CCR5 (0.34) CCR5ALDH1A1MAPTHPGDDPP4
SCHEMBL8690774 0.93 CCR5 (0.34) CCR5ALDH1A1MAPTHPGDDPP4
SCHEMBL8694615 0.89 ALDH1A1 (0.34) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8923758 0.89 ALDH1A1 (0.34) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8696188 0.88 ALDH1A1 (0.36) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8921898 0.88 ALDH1A1 (0.36) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8925236 0.88 CCR5 (0.35) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8694603 0.88 CCR5 (0.35) CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8694952 0.88 MAPT (0.36) ALDH1A1MAPTHPGD
SCHEMBL8924296 0.88 MAPT (0.36) ALDH1A1MAPTHPGD

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-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed