SCHEMBL8923764

SCHEMBL8923764

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ABCB1 P08183 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
CCR5 P51681 2/20 0.31

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
SCHEMBL8694624 1.00 ALDH1A1 (0.35) ALDH1A1MAPTDPP8DPP9GAA
SCHEMBL8925242 0.91 ALDH1A1 (0.34) ALDH1A1MAPTDPP8DPP9GAA
SCHEMBL8694613 0.91 ALDH1A1 (0.34) ALDH1A1MAPTDPP8DPP9GAA
SCHEMBL8924553 0.90 ALDH1A1 (0.33) ALDH1A1MAPTDPP8DPP9GAA
SCHEMBL8696193 0.88 GAA (0.38) ALDH1A1MAPTGAAHTR2AHPGD
SCHEMBL9393713 0.88 GAA (0.38) ALDH1A1MAPTGAAHTR2AHPGD
SCHEMBL8924299 0.87 MAPT (0.37) ALDH1A1MAPTGAAHTR2AHPGD
SCHEMBL8694953 0.87 MAPT (0.37) ALDH1A1MAPTGAAHTR2AHPGD
SCHEMBL8923969 0.87 ALDH1A1 (0.37) ALDH1A1MAPTHTR2AHPGDNPC1
SCHEMBL8693099 0.87 ALDH1A1 (0.37) ALDH1A1MAPTHTR2AHPGDNPC1

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