SCHEMBL9295960

SCHEMBL9295960

CCCN(Cc1ccc(B(O)O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC2 Q92769 3/20 0.47
NCOR2 Q9Y618 3/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LPL P06858 6/20 0.42
LIPG Q9Y5X9 6/20 0.42
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
SSTR4 P31391 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL12062388 0.92 CA1 (0.48) HDAC1HDAC3HDAC2NCOR2CA1
SCHEMBL13180767 0.89 HDAC3 (0.46) HDAC1HDAC3HDAC2NCOR2CA1
SCHEMBL13528048 0.86 HDAC3 (0.40) HDAC1HDAC3HDAC2NCOR2CA1
SCHEMBL4461691 0.85 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2TRPV1
SCHEMBL17393769 0.83 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL3141997 0.83 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL9060170 0.83 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2882035 0.82 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL14328 0.82 CA14 (0.45) HDAC1HDAC3HDAC2NCOR2CA1
SCHEMBL7655742 0.81 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2SSTR4

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
US-5326776-A Tetrazoles ABBOTT LABORATORIES (US) 1994-07-05 US disclosed
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 US disclosed
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed
WO-1993017682-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed