SCHEMBL8408075

SCHEMBL8408075

N=C(N)c1ccc(-c2ccc(OCCCCCC(=O)O)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.47
FFAR1 O14842 4/20 0.47
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
CYP2C9 P11712 1/20 0.46
SCN5A Q14524 1/20 0.46
ALB P02768 1/20 0.45
PPARA Q07869 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PRMT1 Q99873 3/20 0.43

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
Hydrochloric Acid SCHEMBL8407459 0.86 HDAC6 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8407172 0.86 RARA (0.53) FFAR4FFAR1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8409943 0.80 PRSS1 (0.69) PPARAITGB3ITGA2BPRMT1F2
SCHEMBL8407255 0.79 PRSS1 (0.68) PPARAITGB3ITGA2BPRMT1F2
SCHEMBL5522432 0.76 PRMT1 (0.75) PPARAITGB3ITGA2BPRMT1F2
Pentamidine SCHEMBL21462087 0.76 PRMT1 (0.75) PPARAITGB3ITGA2BPRMT1F2
SCHEMBL14599520 0.76 PRMT1 (0.75) PPARAITGB3ITGA2BPRMT1F2
SCHEMBL8410366 0.75 PRSS1 (0.65) ITGB3ITGA2BPRMT1F2ST14
Hydrochloric Acid SCHEMBL5526299 0.75 PRSS1 (0.76) PPARAITGB3ITGA2BPRMT1F2
SCHEMBL7748746 0.75 PRSS1 (0.74) PPARAITGB3ITGA2BPRMT1F2

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