SCHEMBL20746326

SCHEMBL20746326

C=C(C)C(=O)NCCc1cc(O)c(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
F13A1 P00488 1/20 0.42
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
DNM1 Q05193 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17041929 0.85 PTGS1 (0.41) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL20239098 0.84 SELL (0.43) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL23009807 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL328470 0.84 KDM4E (0.69) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL30446328 0.83 MAPT (0.73) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL400288 0.83 MAPT (0.73) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL9962893 0.81 MAPT (0.56) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL19367008 0.81 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2A
SCHEMBL105520 0.77 KDM4E (0.71) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL24277508 0.76 MAPT (0.46) KDM4EALDH1A1MAPTHSD17B10LMNA

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
WO-2019036378-A1 BIOINSPIRED SUPRAMOLECULAR MEDICAL ADHESIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-21 WO claimed
WO-2019036378-A1 BIOINSPIRED SUPRAMOLECULAR MEDICAL ADHESIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-21 WO disclosed