SCHEMBL9458422

SCHEMBL9458422

CC(C)(C)c1ccc(Sc2cc(F)cc(C3(O)CCOCC3)c2F)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
HTR3A P46098 1/20 0.31
ALOX5 P09917 1/20 0.31
MMP1 P03956 1/20 0.30
MMP13 P45452 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
SCHEMBL9270185 0.83 HPGD (0.40) ALOX5MMP1MMP13
SCHEMBL9269765 0.81 LMNA (0.36) ALOX5
SCHEMBL9458668 0.80 CYP1A2 (0.34) ALOX5
SCHEMBL9458222 0.79 ALOX5 (0.36) HTR1AHTR3AALOX5MMP1MMP13
SCHEMBL9385364 0.74 MAPT (0.40) ALOX5
SCHEMBL9101868 0.69 P2RX7 (0.37) ALOX5
SCHEMBL9458464 0.69 ALOX5 (0.32) HTR1AHTR3AALOX5
SCHEMBL9083286 0.68 P4HB (0.32)
SCHEMBL9380947 0.67 GRIN2B (0.32) ALOX5
SCHEMBL9458371 0.67 ALOX5 (0.45) ALOX5MMP1MMP13

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