SCHEMBL8385349

SCHEMBL8385349

C=CCOc1cc(C)cc(C)c1.Cc1cc(C)cc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KAT6A Q92794 1/20 0.43
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
GAA P10253 5/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 3/20 0.38
MGAM O43451 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
ALPL P05186 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
SCHEMBL3963684 0.96 KAT6A (0.45) ALDH1A1KAT6ASLC5A1SLC5A2GAA
Orcinol SCHEMBL6931140 0.95 KAT6A (0.44) ALDH1A1KAT6ASLC5A1SLC5A2GAA
SCHEMBL3595767 0.90 ALDH1A1 (0.41) ALDH1A1KAT6AGAAMAPTMEN1
SCHEMBL16015475 0.82 SLC5A1 (0.46) ALDH1A1SLC5A1SLC5A2GAAMAPT
SCHEMBL18984966 0.82 SLC5A1 (0.46) ALDH1A1SLC5A1SLC5A2GAAMAPT
SCHEMBL4880814 0.79 KAT6A (0.41) ALDH1A1KAT6ASLC5A1SLC5A2GAA
Metacresol SCHEMBL8384132 0.78 ACHE (0.53) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL17204539 0.78 GAA (0.40) ALDH1A1KAT6AGAAMAPTMEN1
SCHEMBL12658254 0.78 MAPT (0.38) ALDH1A1KAT6AGAAMAPTMEN1
SCHEMBL3968437 0.78 GAA (0.50) ALDH1A1SLC5A1SLC5A2GAAMAPT

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-0906755-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating neuropathic pain ELI LILLY AND COMPANY (US) 1999-04-07 EP disclosed