SCHEMBL8923966

SCHEMBL8923966

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
CCR5 P51681 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
MAOB P27338 1/20 0.32
HTT P42858 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
SCHEMBL8693094 1.00 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8696188 0.92 ALDH1A1 (0.36) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8921898 0.92 ALDH1A1 (0.36) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8693554 0.91 ALDH1A1 (0.35) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9202413 0.91 ALDH1A1 (0.35) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8695041 0.90 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9520885 0.90 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8923335 0.90 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8694952 0.90 MAPT (0.36) ALDH1A1MAPTHPGDL3MBTL1RAB9A
SCHEMBL8924296 0.90 MAPT (0.36) ALDH1A1MAPTHPGDL3MBTL1RAB9A

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