SCHEMBL7112238

SCHEMBL7112238

O=C(O)CCc1nc(CCC(=O)O)nc(CCC(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
KEAP1 Q14145 1/20 0.44
FFAR1 O14842 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
CYP1A2 P05177 1/20 0.37
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL22815120 0.82 LMNA (0.44) LMNAALKBH5SUCNR1EGLN1KEAP1
SCHEMBL241757 0.74 ALDH1A1 (0.48) LMNAKEAP1FFAR1NPSR1HDAC6
SCHEMBL13977931 0.72 NPSR1 (0.43) LMNAALKBH5SUCNR1EGLN1KEAP1
Hydrochloric Acid SCHEMBL22775406 0.72 ALDH1A1 (0.47) LMNAKEAP1FFAR1CHRM1KDM4E
SCHEMBL17866361 0.72 KEAP1 (0.41) KEAP1FFAR1NPSR1HDAC6P4HTM
SCHEMBL7122558 0.69 CYP1A2 (0.67) LMNATSHRNFKB1PMP22KDM4E
SCHEMBL31478746 0.69 NPSR1 (0.45) KEAP1NPSR1HDAC6KDM4EKMT2A
Succinic Acid SCHEMBL3799615 0.65
Succinic Acid SCHEMBL21867134 0.65 LMNA (1.00) LMNAALKBH5SUCNR1EGLN1NPSR1
Succinic Acid SCHEMBL24696 0.65 LMNA (1.00) LMNAALKBH5SUCNR1EGLN1NPSR1

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-0945496-B1 Ink compositions and multicolor thermal ink jet printing process for the production of high quality images XEROX CORP (US) 2003-11-12 EP claimed