SCHEMBL7741272

SCHEMBL7741272

CCOCOCC(CCC(=O)NO)NC(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
TAS1R3 Q7RTX0 8/20 0.41
TAS1R1 Q7RTX1 8/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7741280 1.00 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6300331 0.86 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7741026 0.86 MMP2 (0.50) HDAC1HDAC3TAS1R3TAS1R1SMN1; SMN2
SCHEMBL6300333 0.86 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7741032 0.86 MMP2 (0.50) HDAC1HDAC3TAS1R3TAS1R1SMN1; SMN2
SCHEMBL7734875 0.84 HDAC3 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7734882 0.84 HDAC3 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6391247 0.81 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6385851 0.81 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7740288 0.81 MMP2 (0.51) HDAC1HDAC6TAS1R3TAS1R1MAPT

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
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 claimed
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