SCHEMBL8923130

SCHEMBL8923130

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

nearest known ligand 0.39

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
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
MAOB P27338 1/20 0.35
HTT P42858 2/20 0.35
HTR2A P28223 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8690166 1.00 ALDH1A1 (0.38) ALDH1A1MAPTHPGDOPRK1TDP1
SCHEMBL8922841 0.88 ATM (0.36) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL8690179 0.88 ATM (0.36) ALDH1A1MAPTHPGDTDP1RAB9A
Hydrochloric Acid SCHEMBL9520292 0.87 TDP1 (0.38) ALDH1A1MAPTHPGDOPRK1TDP1
SCHEMBL10739299 0.85 ALDH1A1 (0.42) ALDH1A1MAPTHPGDOPRK1TDP1
SCHEMBL9640607 0.85 ALDH1A1 (0.42) ALDH1A1MAPTHPGDOPRK1TDP1
SCHEMBL9520708 0.85 DPP8 (0.46) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL10699078 0.85 TDP1 (0.39) ALDH1A1MAPTHPGDOPRK1TDP1
SCHEMBL9520226 0.85 TDP1 (0.39) ALDH1A1MAPTHPGDOPRK1TDP1
SCHEMBL9518985 0.84 DPP8 (0.40) ALDH1A1MAPTHPGDTDP1POLB

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 3 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
EP-0674640-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP (KR) 1995-10-04 EP disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed