SCHEMBL15319103

SCHEMBL15319103

CC(C=CN)N(OCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
LTA4H P09960 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PTGES O14684 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL15319114 0.84 L3MBTL1 (0.46) ALOX5LTA4HL3MBTL1
SCHEMBL15319115 0.84 L3MBTL1 (0.46) ALOX5LTA4HL3MBTL1
SCHEMBL1913624 0.84 ALDH1A1 (0.42) ALOX5ALDH1A1MEN1KMT2A
SCHEMBL3209123 0.76 ALDH1A1 (0.43) ALOX5HPGDALDH1A1PTGS1PTGS2
SCHEMBL4973395 0.75 ALDH1A1 (0.42) ALOX5HPGDALDH1A1PTGS1PTGS2
SCHEMBL28343493 0.75 ALDH1A1 (0.46) ALOX5ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8900203 0.74 ALOX5 (0.45) ALOX5HPGDALDH1A1PTGS1PTGS2
SCHEMBL3241202 0.72 ALDH1A1 (0.41) ALOX5HPGDALDH1A1PTGS1PTGS2
SCHEMBL15318910 0.72 L3MBTL1 (0.47) LTA4HL3MBTL1
SCHEMBL15318912 0.72 L3MBTL1 (0.47) LTA4HL3MBTL1

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
EP-2834239-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS Astrazeneca AB (SE) 2015-02-11 EP disclosed
WO-2013150296-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ASTRAZENECA AB (SE) 2013-10-10 WO disclosed