SCHEMBL7734745

SCHEMBL7734745

O=C(CCCNC(=O)c1cc2ccccc2o1)NO

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.90
HDAC2 Q92769 6/20 0.90
HDAC3 O15379 6/20 0.68
HDAC4 P56524 4/20 0.68
HDAC7 Q8WUI4 4/20 0.68
HDAC10 Q969S8 4/20 0.68
HDAC11 Q96DB2 4/20 0.68
HDAC8 Q9BY41 4/20 0.68
HDAC6 Q9UBN7 4/20 0.68
HDAC9 Q9UKV0 4/20 0.68
HDAC5 Q9UQL6 4/20 0.68
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
ACKR3 P25106 1/20 0.59
OPRM1 P35372 1/20 0.59
OPRK1 P41145 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
SIGMAR1 Q99720 1/20 0.59

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
SCHEMBL7742536 0.86 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5089680 0.83 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4518602 0.82 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4522796 0.81 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13783954 0.81 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7740959 0.81 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL416296 0.80 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL31235656 0.80 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9212451 0.80 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1939503 0.79 HDAC3 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7

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
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
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP 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