SCHEMBL8693771

SCHEMBL8693771

CC(=O)SC1CC(CSCC(=O)N(C)C(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CCR5 P51681 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAOB P27338 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8926042 1.00 ALDH1A1 (0.35) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8921863 0.93 ALDH1A1 (0.35) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8690156 0.93 ALDH1A1 (0.35) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8922061 0.89 DPP4 (0.35) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8926056 0.88 ALDH1A1 (0.37) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8925226 0.88 ALDH1A1 (0.37) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8691211 0.88 ALDH1A1 (0.37) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8691040 0.88 ALDH1A1 (0.37) ALDH1A1ATMMAPTHPGDCCR5
SCHEMBL8926050 0.86 ALDH1A1 (0.38) ALDH1A1ATMMAPTHPGDDPP8
SCHEMBL8693776 0.86 ALDH1A1 (0.38) ALDH1A1ATMMAPTHPGDDPP8

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