SCHEMBL8065865

SCHEMBL8065865

O=C(/C=C/c1cccc(Br)c1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.73
MAOA P21397 6/20 0.73
LTB4R Q15722 1/20 0.67
TRPV1 Q8NER1 1/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MMP1 P03956 5/20 0.57
MMP2 P08253 5/20 0.57
MMP9 P14780 5/20 0.57
SENP1 Q9P0U3 1/20 0.56
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL8065866 1.00 MAOB (0.73) MAOBMAOALTB4RTRPV1HDAC3
SCHEMBL8060579 0.88 LTB4R (0.76) MAOBMAOALTB4RHDAC3HDAC4
SCHEMBL8060580 0.88 LTB4R (0.76) MAOBMAOALTB4RHDAC3HDAC4
SCHEMBL8049033 0.88 LTB4R (0.84) MAOBMAOALTB4RHDAC3HDAC4
SCHEMBL8049032 0.88 LTB4R (0.84) MAOBMAOALTB4RHDAC3HDAC4
SCHEMBL6013371 0.85 MMP1 (0.79) MAOBLTB4RHDAC3HDAC4HDAC1
SCHEMBL6013373 0.85 MMP1 (0.79) MAOBLTB4RHDAC3HDAC4HDAC1
SCHEMBL704743 0.85 MAOB (1.00) MAOBMAOATRPV1HDAC3HDAC4
SCHEMBL704742 0.85 MAOB (1.00) MAOBMAOATRPV1HDAC3HDAC4
SCHEMBL30894566 0.85 MAOB (1.00) MAOBMAOATRPV1HDAC3HDAC4

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-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed