SCHEMBL8922233

SCHEMBL8922233

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.35
CCR5 P51681 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL9519325 1.00 ALDH1A1 (0.38) ALDH1A1MAPTHPGDMAOBCCR5
SCHEMBL8691844 1.00 ALDH1A1 (0.38) ALDH1A1MAPTHPGDMAOBCCR5
SCHEMBL8693099 0.89 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL8923969 0.89 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL8696193 0.88 GAA (0.38) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL9393713 0.88 GAA (0.38) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL9369560 0.88 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMAOBCCR5
SCHEMBL8923324 0.88 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMAOBCCR5
SCHEMBL9366344 0.88 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMAOBCCR5
SCHEMBL8689878 0.88 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMAOBCCR5

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