SCHEMBL7740305

SCHEMBL7740305

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 3/20 0.57
ADCY3 O60266 3/20 0.57
ADCY9 O60503 3/20 0.57
ADCY5 O95622 3/20 0.57
ADCY8 P40145 3/20 0.57
GCGR P47871 3/20 0.57
ADCY7 P51828 3/20 0.57
ADCY2 Q08462 3/20 0.57
ADCY1 Q08828 3/20 0.57
ADCY4 Q8NFM4 3/20 0.57
HDAC6 Q9UBN7 2/20 0.52
MAPK1 P28482 1/20 0.51
HDAC2 Q92769 3/20 0.51
PPARG P37231 2/20 0.50
MAPK8 P45983 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NFKB1 P19838 1/20 0.49

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 0.88 HDAC1 (0.61) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8107756 0.86 HDAC6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8115512 0.86 HDAC6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7739466 0.85 HDAC1 (0.67) HDAC6HDAC2HDAC1HDAC3HDAC4
SCHEMBL7734900 0.85 ADCY6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL6386992 0.84 HDAC1 (0.69) HDAC6HDAC2HDAC1HDAC3HDAC4
SCHEMBL7739785 0.81 MMP12 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7742392 0.81 MMP12 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7739782 0.81 MMP12 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7741345 0.80 ADCY6 (0.47) 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 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