SCHEMBL7735115

SCHEMBL7735115

CCCCCC#Cc1ccc(-c2ccc(C(=O)NCCCC(=O)NO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.54
HDAC3 O15379 13/20 0.54
HDAC2 Q92769 13/20 0.54
HDAC6 Q9UBN7 13/20 0.54
HDAC4 P56524 11/20 0.54
HDAC7 Q8WUI4 11/20 0.54
HDAC10 Q969S8 11/20 0.54
HDAC11 Q96DB2 11/20 0.54
HDAC8 Q9BY41 11/20 0.54
HDAC9 Q9UKV0 11/20 0.54
HDAC5 Q9UQL6 11/20 0.54
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50
LTA4H P09960 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7734911 0.97 MMP2 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7734723 0.89 MMP2 (0.61) MMP2MMP12FFAR1FFAR4L3MBTL1
SCHEMBL7739857 0.79 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740594 0.79 HDAC3 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7734972 0.78 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740874 0.77 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7742610 0.76 MMP1 (0.73) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7740903 0.75 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL6386062 0.75 HDAC6 (0.89) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL6390393 0.75 HDAC6 (0.60) HDAC1HDAC3HDAC2HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed