SCHEMBL7740347

SCHEMBL7740347

O=C(O)C[C@H](O)CNC(=O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.64
MMP13 P45452 1/20 0.64
HDAC2 Q92769 1/20 0.49
ADCY6 O43306 3/20 0.48
ADCY3 O60266 3/20 0.48
ADCY9 O60503 3/20 0.48
ADCY5 O95622 3/20 0.48
ADCY8 P40145 3/20 0.48
GCGR P47871 3/20 0.48
ADCY7 P51828 3/20 0.48
ADCY2 Q08462 3/20 0.48
ADCY1 Q08828 3/20 0.48
ADCY4 Q8NFM4 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7739512 1.00 MMP12 (0.64) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7739507 1.00 MMP12 (0.64) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7740481 0.89 MMP12 (0.50) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7741101 0.89 MMP12 (0.50) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7740487 0.89 MMP12 (0.50) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7741040 0.88 MMP12 (0.49) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7741042 0.88 MMP12 (0.49) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7741047 0.81 MMP12 (0.48) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7741045 0.81 MMP12 (0.48) MMP12MMP13HDAC2ADCY6ADCY3
SCHEMBL7741261 0.81 MMP12 (0.48) MMP12MMP13HDAC2ADCY6ADCY3

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