SCHEMBL7735099

SCHEMBL7735099

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.62
MMP9 P14780 4/20 0.62
MMP12 P39900 4/20 0.62
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
ANPEP P15144 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADAM17 P78536 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7735094 1.00 MMP2 (0.62) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740362 0.97 MMP2 (0.59) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740363 0.97 MMP2 (0.59) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739551 0.93 MMP2 (0.61) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739554 0.93 MMP2 (0.61) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL5998380 0.93 MMP2 (0.73) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL5998377 0.93 MMP2 (0.73) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741354 0.92 MMP2 (0.61) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741359 0.92 MMP2 (0.61) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739862 0.90 MMP2 (0.69) MMP2MMP9MMP12ANPEPCYP3A4

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