SCHEMBL9309969

SCHEMBL9309969

Cn1c(=O)ccc2cc(SOc3cccc(C(=O)C4CCOCC4)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.43
BRPF1 P55201 4/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
HSD11B1 P28845 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
BRD4 O60885 1/20 0.34
CA9 Q16790 1/20 0.34
KAT2B Q92831 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9310079 0.87 ALOX5 (0.45) ALOX5BRPF1KDM4EALDH1A1KDM2B
SCHEMBL9308116 0.83 KMT2A (0.38) KDM4EALDH1A1KDM2BMEN1MAPT
SCHEMBL9307254 0.82 ALOX5 (0.64) ALOX5ALDH1A1KDM2B
SCHEMBL9389965 0.79 ALOX5 (0.40) ALOX5BRPF1TRPV1
SCHEMBL9308141 0.78 ALOX5 (0.47) ALOX5BRPF1
SCHEMBL9310760 0.71 ALOX5 (0.66) ALOX5
SCHEMBL9308150 0.70 MGLL (0.34) KDM4EALDH1A1KDM2BHSD11B1L3MBTL1
SCHEMBL9309991 0.69 ALOX5 (0.46) ALOX5BRPF1
SCHEMBL8953781 0.68 ALDH1A1 (0.43) KDM4EALDH1A1KDM2BHSD11B1KMT2A
SCHEMBL8953753 0.65 L3MBTL1 (0.44) KDM4EALDH1A1KDM2BHSD11B1MEN1

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