SCHEMBL11713686

SCHEMBL11713686

CCOC(=O)c1cn(C(C)C(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 3/20 0.45
GAA P10253 3/20 0.45
NPC1 O15118 1/20 0.45
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 5/20 0.42
NR1H2 P55055 1/20 0.42
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL26608016 0.87 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL13534290 0.77 MAPT (0.55) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL8045280 0.76 HPGD (0.41) ALDH1A1LMNAPOLBCYP2C19
SCHEMBL26084791 0.74 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL10510362 0.72 SMN1; SMN2 (0.50) ALDH1A1MAPTLMNACYP2C19KMT2A
SCHEMBL31091468 0.70 KMT2A (0.58) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL7547086 0.69 MAPT (0.53) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL16703811 0.69 KMT2A (0.53) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL31091467 0.68 KMT2A (0.47) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL28525283 0.68 KMT2A (0.56) ALDH1A1MAPTL3MBTL1LMNAPOLB

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-4008221-A BACTERICIDE, ANTIBIOTIC RICHARDSON-MERRELL INC. (US) 1977-02-15 US disclosed
US-3956288-A 7-[(2,4-Dioxo-1-pyrimidinyl)acylamino]cephalosporin derivatives RICHARDSON-MERRELL INC. (US) 1976-05-11 US disclosed