SCHEMBL8690847

SCHEMBL8690847

CN(C(N)=O)C(=O)CCSCC1CC(O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.35
CCR5 P51681 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 2/20 0.33
OPRK1 P41145 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9388492 1.00 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8693508 0.92 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8694749 0.92 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8925226 0.92 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8691040 0.92 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8924386 0.89 ALDH1A1 (0.36) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8694252 0.89 ALDH1A1 (0.36) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8921863 0.89 ALDH1A1 (0.35) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8690156 0.89 ALDH1A1 (0.35) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL8694786 0.88 ALDH1A1 (0.35) ALDH1A1MAPTHPGDTDP1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed