SCHEMBL7741345

SCHEMBL7741345

COC(C)(C)ONC(=O)CCCNC(=O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 3/20 0.47
ADCY3 O60266 3/20 0.47
ADCY9 O60503 3/20 0.47
ADCY5 O95622 3/20 0.47
ADCY8 P40145 3/20 0.47
GCGR P47871 3/20 0.47
ADCY7 P51828 3/20 0.47
ADCY2 Q08462 3/20 0.47
ADCY1 Q08828 3/20 0.47
ADCY4 Q8NFM4 3/20 0.47
HDAC2 Q92769 4/20 0.45
HDAC1 Q13547 4/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
NPY1R P25929 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL7740959 0.82 HDAC1 (0.61) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL6138359 0.81 SMN1; SMN2 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740305 0.80 ADCY6 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL6387908 0.79 HDAC6 (0.63) HDAC2HDAC1HDAC3HDAC6HDAC4
SCHEMBL7739466 0.79 HDAC1 (0.67) HDAC2HDAC1HDAC3HDAC6HDAC4
SCHEMBL7734900 0.79 ADCY6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL6386992 0.78 HDAC1 (0.69) HDAC2HDAC1HDAC3HDAC6HDAC4
SCHEMBL6777188 0.77 MMP12 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8107756 0.76 HDAC6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8115512 0.76 HDAC6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8

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