SCHEMBL8149573

SCHEMBL8149573

CCOc1cc(Cc2ccc(O)cc2)c(O)c(Cc2cc(Cc3cc(OCC)cc(Cc4ccc(O)cc4)c3O)c(O)c(C3CCCCC3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.34
SLC5A2 P31639 13/20 0.34
SLC5A1 P13866 9/20 0.34
LTA4H P09960 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32

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
SCHEMBL8153647 0.89 PTGDR2 (0.37) NUDT1BACE1
SCHEMBL8141767 0.88 NUDT1 (0.40) NUDT1BACE1SLC5A2SLC5A1
SCHEMBL8142465 0.88 LMNA (0.36) NUDT1BACE1LMNASLC5A2
SCHEMBL8142256 0.85 NUDT1 (0.40) NUDT1BACE1SLC5A1
SCHEMBL2385696 0.85 NUDT1 (0.39) NUDT1BACE1
SCHEMBL8142469 0.85 NUDT1 (0.39) NUDT1BACE1
SCHEMBL4061548 0.84 NUDT1 (0.44) NUDT1BACE1
SCHEMBL14463141 0.83 CALM1 (0.40) NUDT1BACE1SLC5A2LTA4H
SCHEMBL8142482 0.83 NUDT1 (0.40) NUDT1BACE1
SCHEMBL8154645 0.81 CYP19A1 (0.39) NUDT1BACE1

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
US-6127087-A COMPOSITION COMPRISING ALKALI-SOLUBLE RESIN, SPECIFIED QUINONEDIAZIDE COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
US-6106994-A ESTERIFYING A POLYPHENOL COMPOUND AND NAPHTHOQUINONE-1,2-DIAZIDESULFONYL HALIDE IN THE PRESENCE OF FOR EXAMPLE MONOMETHYLDICYCLOHEXYLAMINE, AND POSITIVE PHOTOSENSITIVE COMPOSITION CONTAINS RESULTANT ESTER TOKYO OHKA KOGYO CO., LTD. (JP) 2000-08-22 US disclosed