SCHEMBL11802292

SCHEMBL11802292

COC/C=C/COc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.47
AOC3 Q16853 1/20 0.46
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.39
PPARD Q03181 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CHRNA7 P36544 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL11802298 1.00 LSS (0.47) LSSAOC3KDM4EALDH1A1APP
SCHEMBL11267037 0.82 LSS (0.44) LSSAOC3KDM4EALDH1A1APP
SCHEMBL11267081 0.82 LSS (0.44) LSSAOC3KDM4EALDH1A1APP
SCHEMBL7225393 0.80 LSS (0.47) LSSAOC3ALDH1A1APPPPARD
SCHEMBL7225391 0.80 LSS (0.47) LSSAOC3ALDH1A1APPPPARD
SCHEMBL13313286 0.79 AOC3 (0.70) AOC3ALDH1A1CHRNA7
SCHEMBL514662 0.77 PPARD (0.45) LSSAPPPPARDDRD2DRD4
SCHEMBL7225411 0.77 LSS (0.51) LSSKDM4EALDH1A1PPARDMAOB
SCHEMBL7225415 0.77 LSS (0.51) LSSKDM4EALDH1A1PPARDMAOB
SCHEMBL23978819 0.74 CA1 (0.53) ALDH1A1

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-3974092-A COMPOUND, 6B, ORGANOALUMINUM COMPOUND, ETHER OF OLEFIN ALCOHOL CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed