SCHEMBL8943149

SCHEMBL8943149

COc1ccc(C(=O)C[C@@H](N)CC=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
GSK3B P49841 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
PARP10 Q53GL7 2/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47

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
SCHEMBL809634 0.82 L3MBTL1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL812999 0.82 L3MBTL1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL809823 0.79 L3MBTL1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL812734 0.79 L3MBTL1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31274111 0.78 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9788905 0.78 TSHR (0.53) GSK3BL3MBTL1MAPTCES1LMNA
SCHEMBL5964997 0.78 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7797596 0.78 L3MBTL1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7802060 0.78 L3MBTL1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7797595 0.78 L3MBTL1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0738154-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH Abbott Laboratories (US) 1996-10-23 EP disclosed
EP-0738154-A4 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LAB (US) 1996-04-12 EP disclosed
US-5502035-A N-terminus modified analogs of LHRH TAP HOLDINGS INC. (US) 1996-03-26 US disclosed
WO-1995004541-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LABORATORIES (US) 1995-02-16 WO disclosed