SCHEMBL7046517

SCHEMBL7046517

N#Cc1ccc(-c2ccc(CCCC(=O)NOCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ HDAC3 O15379 2/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ HDAC2 Q92769 4/20 0.47
▸ HDAC1 Q13547 5/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ MMP3 P08254 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.45
▸ FAAH O00519 1/20 0.44
▸ MMP12 P39900 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL7042844 0.89 HDAC2 (0.58) HDAC3NCOR2HDAC2HDAC1HDAC8
SCHEMBL3653038 0.84 HDAC3 (0.62) HPGDHDAC3NCOR2HDAC2HDAC1
SCHEMBL7047874 0.82 MMP3 (0.50) ABCB1HPGDABCG2HDAC3HDAC2
SCHEMBL5794325 0.79 HDAC3 (0.67) HDAC3NCOR2HDAC2HDAC1HDAC8
SCHEMBL7047739 0.78 MMP3 (0.66) HDAC3HDAC2HDAC1HDAC8HDAC6
SCHEMBL9191952 0.77 HDAC3 (0.71) HDAC3NCOR2HDAC2HDAC1HDAC8
SCHEMBL30001789 0.77 MGLL (0.56) ABCB1HPGDABCG2HDAC2HDAC1
SCHEMBL14619461 0.76 MEN1 (0.57) FFAR1
SCHEMBL6763786 0.76 HDAC3 (0.74) HDAC3NCOR2HDAC2HDAC1HDAC8
SCHEMBL6760841 0.75 HDAC3 (0.61) HDAC3NCOR2HDAC2HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 — — EP disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 — — EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 — — US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 — — WO disclosed
Send feedback