SCHEMBL9310079

SCHEMBL9310079

Cn1c(=O)ccc2cc(SOc3cc(F)cc(C(=O)C4CCOCC4)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.45
BRPF1 P55201 2/20 0.36
HTR1F P30939 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM2B Q8NHM5 1/20 0.33

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
SCHEMBL9309969 0.87 ALOX5 (0.43) ALOX5BRPF1KDM4EALDH1A1KDM2B
SCHEMBL9308150 0.83 MGLL (0.34) KDM4EALDH1A1KDM2B
SCHEMBL9310760 0.83 ALOX5 (0.66) ALOX5
SCHEMBL9309991 0.79 ALOX5 (0.46) ALOX5BRPF1
SCHEMBL9310396 0.73 ALOX5 (0.63) ALOX5
SCHEMBL9307868 0.73 ALOX5 (0.62) ALOX5
SCHEMBL9307254 0.71 ALOX5 (0.64) ALOX5ALDH1A1KDM2B
SCHEMBL9389965 0.70 ALOX5 (0.40) ALOX5BRPF1
SCHEMBL9308116 0.69 KMT2A (0.38) KDM4EALDH1A1KDM2B
SCHEMBL9308141 0.69 ALOX5 (0.47) ALOX5BRPF1

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
US-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994005281-A1 PHENYLMETHYL DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-03-17 WO disclosed