SCHEMBL7042844

SCHEMBL7042844

O=C(CCCc1ccc(-c2ccccc2)cc1)NOCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 3/20 0.58
▸ HDAC1 Q13547 4/20 0.57
▸ HDAC3 O15379 2/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ TRPV1 Q8NER1 2/20 0.52
▸ FFAR1 O14842 3/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL3653038 0.93 HDAC3 (0.62) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL7046517 0.89 ABCB1 (0.52) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL5794325 0.87 HDAC3 (0.67) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL9191952 0.85 HDAC3 (0.71) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL6763786 0.83 HDAC3 (0.74) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL23710387 0.81 HDAC3 (0.54) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL1232934 0.81 TRPV1 (0.55) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL14619461 0.81 MEN1 (0.57) FFAR1NPC1RAB9A
SCHEMBL13087244 0.80 HDAC3 (0.66) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL9191954 0.80 HDAC3 (0.66) HDAC2HDAC1HDAC3NCOR2HDAC8

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
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