SCHEMBL10916752

SCHEMBL10916752

CCCCOC(=O)Nc1ccccc1C(=O)C(=O)OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.76
CYP1A2 P05177 3/20 0.76
CYP2C19 P33261 3/20 0.76
ALDH1A1 P00352 8/20 0.62
L3MBTL1 Q9Y468 6/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
TSHR P16473 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
CASP1 P29466 1/20 0.49
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46
STAT1 P42224 1/20 0.46

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
SCHEMBL2320061 0.85 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL6024696 0.83 SMN1; SMN2 (0.75) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL3135286 0.82 SMN1; SMN2 (0.82) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL22822387 0.80 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL21059189 0.79 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL13506223 0.79 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL3867996 0.79 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL7378894 0.79 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL8057145 0.78 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL21059156 0.77 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1

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
EP-0048954-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND INTERMEDIATE PRODUCTS FOR THE PREPARATION THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 EP disclosed