SCHEMBL9764812

SCHEMBL9764812

CCCC(=O)N(O)CC(c1csc2ccccc12)c1csc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
TP53 P04637 1/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
PKM P14618 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD17B2 P37059 1/20 0.37
CYP2A6 P11509 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
CMA1 P23946 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9764840 0.82 ALOX5 (0.60) ALOX5MC4RMC5RCYP1A2CYP2C19
SCHEMBL9764875 0.80 ALOX5 (0.48) ALOX5CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL9764855 0.78 ALOX5 (0.48) ALOX5MC4RMC5RCYP1A2CYP2C19
SCHEMBL9764899 0.75 MAOB (0.42) TP53HSD17B2MAPTALDH1A1
SCHEMBL9764841 0.75 ALOX5 (0.54) ALOX5MC4RMC5RCYP1A2CYP2C19
SCHEMBL9764885 0.72 ALOX5 (0.49) ALOX5MC4RMC5RCYP1A2CYP2C19
SCHEMBL10559634 0.72 ALOX5 (0.58) ALOX5MC4RMC5RCYP1A2CYP2C19
SCHEMBL5469039 0.72 ALOX5 (0.50) ALOX5TP53CYP1A2CYP2C19CYP2D6
SCHEMBL19334127 0.70 ALOX5 (0.46) ALOX5MC4RMC5RCYP1A2CYP2C19
SCHEMBL9764916 0.70 ALOX5 (0.70) ALOX5MC4RMC5RCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed