SCHEMBL7983941

SCHEMBL7983941

N#Cc1ccc(CO)c(OCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GSTP1 P09211 1/20 0.45
PTGER1 P34995 3/20 0.43
PDCD1 Q15116 6/20 0.43
CD274 Q9NZQ7 6/20 0.43
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL6477203 0.92 MAOB (0.55) MAOBPTGDR2KDM4EALDH1A1POLB
SCHEMBL7970032 0.87 CYP19A1 (0.57) MAOBPTGDR2KDM4EALDH1A1POLB
SCHEMBL7970467 0.81 CYP19A1 (0.41) MAOBPTGDR2GSTP1PTGER1PDCD1
SCHEMBL6554874 0.81 MAOB (0.55) MAOBPTGDR2KDM4EALDH1A1POLB
SCHEMBL7982330 0.80 APP (0.48) GSTP1
SCHEMBL2570360 0.79 CYP19A1 (0.62) MAOBPTGDR2GSTP1PTGER1PDCD1
SCHEMBL2985019 0.78 CARM1 (0.55) KDM4EALDH1A1HPGDGSTP1PTGER1
SCHEMBL6477064 0.78 MAOB (0.55) MAOBPTGER1CYP19A1CYP11B1CYP11B2
SCHEMBL6490398 0.78 MAOB (0.55) MAOBALDH1A1PTGER1PDCD1CD274
SCHEMBL3501181 0.77 FNTA (0.60) CYP19A1CYP11B1CYP11B2

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-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed