SCHEMBL8407366

SCHEMBL8407366

COC(=O)CCCC(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
RORC P51449 2/20 0.51
HTT P42858 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MMP3 P08254 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
PTPRC P08575 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
TP53 P04637 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
SCHEMBL7308833 0.96 L3MBTL1 (0.58) L3MBTL1RORCHTTHDAC8ALDH1A1
SCHEMBL8410410 0.92 ALDH1A1 (0.60) L3MBTL1RORCHTTALDH1A1MMP3
SCHEMBL3084650 0.85 RORC (0.59) L3MBTL1RORCHTTALDH1A1POLB
SCHEMBL8407961 0.83 MMP3 (0.47) L3MBTL1RORCHDAC8MMP3HPGD
SCHEMBL8410615 0.82 KMT2A (0.47) L3MBTL1RORCALDH1A1MMP3POLB
SCHEMBL8886185 0.81 RORC (0.53) RORCALDH1A1POLB
SCHEMBL878909 0.81 KMT2A (0.53) HTTALDH1A1POLBHPGD
SCHEMBL8886444 0.80 CNR1 (0.53) HTTALDH1A1MMP3POLB
SCHEMBL7473435 0.80 POLB (0.53) RORCHTTHDAC8ALDH1A1POLB
SCHEMBL9223532 0.80 POLB (0.64) L3MBTL1RORCHTTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed