SCHEMBL9458464

SCHEMBL9458464

CC(C)(C)c1ccc(Sc2cc(Br)cc(C3(O)CCOCC3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 2/20 0.31
PTGIR P43119 1/20 0.30
GRIN2B Q13224 1/20 0.30
OGA O60502 1/20 0.30
LMNA P02545 1/20 0.30
HTR1A P08908 1/20 0.30
HTR3A P46098 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
SCHEMBL9458222 0.85 ALOX5 (0.36) ALOX5MAPTPTGIRGRIN2BOGA
SCHEMBL9385364 0.84 MAPT (0.40) ALOX5HSD11B1MAPTPTGIRGRIN2B
SCHEMBL9380123 0.83 ALOX5 (0.39) ALOX5HSD11B1
SCHEMBL9457985 0.75 PTGIR (0.39) MAPTPTGIRLMNAHTR1AHTR3A
SCHEMBL24270129 0.73 HRH3 (0.37) ALOX5MAPTOGALMNA
SCHEMBL9458637 0.73 ALOX5 (0.32) ALOX5
SCHEMBL9380947 0.71 GRIN2B (0.32) ALOX5GRIN2B
SCHEMBL9083286 0.70 P4HB (0.32)
SCHEMBL29548263 0.70 HTR1D (0.39) ALOX5OGALMNA
SCHEMBL24270086 0.70 HTR1D (0.39) ALOX5OGALMNA

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-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed