SCHEMBL9380308

SCHEMBL9380308

COC1(c2ccc(Sc3ccc(C(C)(C)C)cc3)cc2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.41
HSD11B1 P28845 1/20 0.39
PTGIR P43119 1/20 0.34
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DHFR P00374 1/20 0.31
HTR1A P08908 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL9379924 0.87 ALOX5 (0.42) ALOX5HSD11B1
SCHEMBL9380123 0.85 ALOX5 (0.39) ALOX5HSD11B1
SCHEMBL9085434 0.83 ALOX5 (0.42) ALOX5HSD11B1
SCHEMBL9381401 0.82 ALOX5 (0.37) ALOX5HSD11B1PTGIR
SCHEMBL9385364 0.79 MAPT (0.40) ALOX5HSD11B1PTGIRRAB9ASIGMAR1
SCHEMBL18253218 0.79 HSD11B1 (0.48) ALOX5HSD11B1RAB9AALDH1A1
SCHEMBL9086298 0.79 ALOX5 (0.40) ALOX5PTGIR
SCHEMBL9381912 0.77 ALOX5 (0.41) ALOX5
SCHEMBL9379755 0.77 ALOX5 (0.41) ALOX5
SCHEMBL9440364 0.76 ALOX5 (0.38) ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409413-B1 Diaryl ether heterocycles ICI PLC (GB) 1994-08-03 EP disclosed
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed