SCHEMBL16499253

SCHEMBL16499253

CC1(C)CCC[C@@]2(C)c3cc(F)c(Cl)cc3C(=O)[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.32
▸ AKR1B1 P15121 2/20 0.30
▸ EP300 Q09472 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
SCHEMBL12825557 0.85 SOD1 (0.32) SOD1EP300
SCHEMBL16499494 0.85 SOD1 (0.32) SOD1EP300
SCHEMBL16499548 0.79 MAPK1 (0.33) SOD1
SCHEMBL12821421 0.79 SOD1 (0.34) SOD1EP300
SCHEMBL16499255 0.78 AKR1B1 (0.34) SOD1AKR1B1
SCHEMBL12825588 0.78 ACHE (0.44) SOD1EP300
SCHEMBL16499404 0.76 NR3C1 (0.31) —
SCHEMBL12825604 0.74 ACHE (0.37) SOD1EP300
SCHEMBL16499584 0.74 ACHE (0.35) SOD1EP300
SCHEMBL12821396 0.74 ACHE (0.35) SOD1EP300

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
WO-2011155983-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC. (US) 2011-12-15 — — WO disclosed
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