SCHEMBL7969246

SCHEMBL7969246

COc1coc(-c2cc(Cl)cc(C3(C4CCCCC4)OC(=O)C(O)=C3O)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
BACE1 P56817 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL6027321 0.72 BACE1 (0.39) BACE1
SCHEMBL7956141 0.64 HSD11B1 (0.37)
SCHEMBL7967072 0.63
SCHEMBL6026240 0.60 MCL1 (0.35)
SCHEMBL6027361 0.58 HCAR2 (0.38) EGFRBACE1
SCHEMBL6026701 0.54 EDNRA (0.43)
SCHEMBL782477 0.53 NPY5R (0.31)
SCHEMBL23699811 0.52 BACE1 (0.43) BACE1
SCHEMBL6026415 0.51 KDM4E (0.47) BACE1
SCHEMBL28876333 0.50 NR4A2 (0.36)

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed