SCHEMBL7740841

SCHEMBL7740841

O=C(NCCC(CCCc1ccccc1)C(=O)NO)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 3/20 0.55
ADCY3 O60266 3/20 0.55
ADCY9 O60503 3/20 0.55
ADCY5 O95622 3/20 0.55
ADCY8 P40145 3/20 0.55
GCGR P47871 3/20 0.55
ADCY7 P51828 3/20 0.55
ADCY2 Q08462 3/20 0.55
ADCY1 Q08828 3/20 0.55
ADCY4 Q8NFM4 3/20 0.55
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
HDAC6 Q9UBN7 4/20 0.47
NPC1 O15118 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADAM17 P78536 1/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL7742633 0.94 MMP12 (0.53) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7741008 0.90 ADCY6 (0.61) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740791 0.82 HDAC6 (0.51) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7734913 0.82 HDAC6 (0.51) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7734910 0.82 HDAC6 (0.51) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740821 0.81 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740818 0.79 ADCY6 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL11999425 0.79 ADCY6 (0.68) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740825 0.79 ADCY6 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7739799 0.79 ADCY6 (0.48) 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