SCHEMBL11116977

SCHEMBL11116977

COc1ccc(NCCCCCCCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MAPT P10636 1/20 0.58
FFAR1 O14842 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
HDAC1 Q13547 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
PDE4B Q07343 1/20 0.54
POLB P06746 2/20 0.53
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2677428 0.94 GAA (0.61) GAAMAPTFFAR1L3MBTL1HDAC1
SCHEMBL11116358 0.88 GAA (0.58) GAAMAPTFFAR1L3MBTL1HDAC1
SCHEMBL12685570 0.88 GAA (0.58) GAAMAPTFFAR1L3MBTL1HDAC1
SCHEMBL11119111 0.88 GAA (0.58) GAAMAPTFFAR1L3MBTL1HDAC1
SCHEMBL3203778 0.87 POLB (0.68) GAAMAPTFFAR1L3MBTL1PDE4B
SCHEMBL10423768 0.87 PDE4B (0.57) GAAMAPTFFAR1L3MBTL1PDE4B
SCHEMBL20390467 0.84 MTNR1B (0.62) HDAC1HDAC6NPC1RAB9APKM
SCHEMBL15741887 0.82 EPHX1 (0.62) GAAL3MBTL1HDAC1HDAC8HDAC3
SCHEMBL6829598 0.82 GAA (0.51) GAAMAPTL3MBTL1HDAC1HDAC8
SCHEMBL1938687 0.82 FFAR1 (0.54) MAPTFFAR1HDAC1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051828-B1 N-BENZOYL-ALPHA-ANILINO ALKANE CARBOXYLIC ACIDS, SALTS AND ESTERS THEREOF, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-03-14 EP disclosed
US-4386031-A ANTICOAGULANTS; ANTIALLERGENS; ANTINFLAM-MATORY AND ANTILIPEMIC AGENTS; ANTIHISTAMINES; CARDIOVASCULAR DISORDERS A. NATTERMANN & CIE GMBH (DE) 1983-05-31 US disclosed
EP-0051828-A1 N-benzoyl-alpha-anilino alkane carboxylic acids, salts and esters thereof, process for producing the same and pharmaceutical preparations containing the same A. Nattermann & Cie. GmbH (DE) 1982-05-19 EP disclosed