SCHEMBL5313827

SCHEMBL5313827

C[C@@]12CCC[C@H]1C1=CC=C3CC(O)(O)C=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 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
SCHEMBL5307936 0.80
SCHEMBL5311222 0.75 ALDH1A1 (0.35) ALDH1A1MAPTALOX15
SCHEMBL5311220 0.72 TRPA1 (0.32)
SCHEMBL5308427 0.72 ALDH1A1 (0.33) ALDH1A1MAPTALOX15
SCHEMBL5572206 0.70 ALDH1A1 (0.53) ALDH1A1MAPTALOX15
SCHEMBL22262018 0.70 ALDH1A1 (0.53) ALDH1A1MAPTALOX15
SCHEMBL1892098 0.70 ALDH1A1 (0.53) ALDH1A1MAPTALOX15
SCHEMBL1891785 0.70 ALDH1A1 (0.53) ALDH1A1MAPTALOX15
SCHEMBL5308422 0.70
SCHEMBL4282246 0.70 ALDH1A1 (0.34) ALDH1A1MAPTALOX15

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-2007030124-A2 TREATMENT SCREENING METHODS HOLLIS-EDEN PHARMACEUTICALS, INC (US) 2007-03-15 WO disclosed