SCHEMBL7739554

SCHEMBL7739554

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.61
MMP9 P14780 5/20 0.61
MMP12 P39900 4/20 0.61
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
PPARG P37231 1/20 0.37
ADAM17 P78536 3/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ANPEP P15144 1/20 0.35
ASAH2 Q9NR71 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7739551 1.00 MMP2 (0.61) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7735094 0.93 MMP2 (0.62) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7735099 0.93 MMP2 (0.62) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL5998380 0.92 MMP2 (0.73) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL5998377 0.92 MMP2 (0.73) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740108 0.90 MMP2 (0.60) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740102 0.90 MMP2 (0.60) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740362 0.90 MMP2 (0.59) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740363 0.90 MMP2 (0.59) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739858 0.89 MMP2 (0.69) MMP2MMP9MMP12ADAM17ALDH1A1

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 3 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