SCHEMBL6548029

SCHEMBL6548029

O=C(O)C=CC=CC(=O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
EGLN1 Q9GZT9 3/20 0.45
LMNA P02545 2/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.45
OXER1 Q8TDS5 4/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 4/20 0.41
KMT2A Q03164 1/20 0.41
ALOX12 P18054 2/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC15A2 Q16348 1/20 0.36
MAPK1 P28482 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
SCHEMBL6548027 1.00 ALDH1A1 (0.45) ALDH1A1EGLN1LMNAALKBH5SUCNR1
SCHEMBL14124862 0.98 ALDH1A1 (0.44) ALDH1A1EGLN1LMNAALKBH5SUCNR1
Sorbic Acid SCHEMBL8452078 0.78 EGLN1 (0.43) EGLN1LMNAALKBH5SUCNR1OXER1
Sorbic Acid SCHEMBL8452080 0.78 EGLN1 (0.43) EGLN1LMNAALKBH5SUCNR1OXER1
Fumaric Acid SCHEMBL2390060 0.78 TSHR (0.64) EGLN1LMNAALKBH5SUCNR1KDM4E
Fumaric Acid SCHEMBL4042292 0.78 TSHR (0.64) EGLN1LMNAALKBH5SUCNR1KDM4E
Fumaric Acid SCHEMBL4400079 0.78 TSHR (0.64) EGLN1LMNAALKBH5SUCNR1KDM4E
Fumaric Acid SCHEMBL4337403 0.78 TSHR (0.64) EGLN1LMNAALKBH5SUCNR1KDM4E
Fumaric Acid SCHEMBL4042291 0.78 TSHR (0.64) EGLN1LMNAALKBH5SUCNR1KDM4E
Fumaric Acid SCHEMBL4337405 0.78 TSHR (0.64) EGLN1LMNAALKBH5SUCNR1KDM4E

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-1379549-A2 SEQUENCE OF THE PHOTORHABDUS LUMINESCENS STRAIN TT01 GENOME AND USES INSTITUT PASTEUR (FR) 2004-01-14 EP disclosed
WO-2002094867-A2 SEQUENCE OF THE PHOTORHABDUS LUMINESCENS STRAIN TT01 GENOME AND USES INSTITUT PASTEUR (FR) 2002-11-28 WO disclosed