SCHEMBL8924227

SCHEMBL8924227

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CSCC(=O)NCC#N)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR5 P51681 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
ATM Q13315 1/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL8690777 1.00 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKMT2ACCR5
SCHEMBL8692051 0.93 ALDH1A1 (0.34) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8692337 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKMT2ACCR5
SCHEMBL9520885 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKMT2ACCR5
SCHEMBL8695041 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8923335 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8924553 0.87 ALDH1A1 (0.33) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8690774 0.87 CCR5 (0.34) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8924224 0.87 CCR5 (0.34) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9390647 0.86 ALDH1A1 (0.36) ALDH1A1MAPTHPGDKMT2ACCR5

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