SCHEMBL7308833

SCHEMBL7308833

COC(=O)CCCC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
RORC P51449 2/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PTPRC P08575 3/20 0.52
PGR P06401 1/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN13 Q12923 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8407366 0.96 L3MBTL1 (0.54) L3MBTL1RORCALDH1A1HTTHPGD
SCHEMBL3084650 0.89 RORC (0.59) L3MBTL1RORCALDH1A1HTTPOLB
SCHEMBL8410410 0.87 ALDH1A1 (0.60) L3MBTL1RORCALDH1A1HTTHPGD
SCHEMBL878909 0.84 KMT2A (0.53) ALDH1A1HTTHPGDPOLBMEN1
SCHEMBL9223532 0.83 POLB (0.64) L3MBTL1RORCALDH1A1HTTHPGD
SCHEMBL7473435 0.83 POLB (0.53) RORCALDH1A1HTTPOLBHDAC8
SCHEMBL31635262 0.82 L3MBTL1 (0.69) L3MBTL1ALDH1A1HTTHPGDHDAC8
SCHEMBL20777973 0.81 PGR (0.65) L3MBTL1RORCHTTHPGDPOLB
SCHEMBL15480393 0.81 PGR (0.65) L3MBTL1RORCHTTHPGDPOLB
SCHEMBL1355675 0.80 L3MBTL1 (0.58) L3MBTL1ALDH1A1HTTHPGDHDAC8

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-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed