SCHEMBL7740108

SCHEMBL7740108

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(Oc2cccc(O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.60
MMP9 P14780 5/20 0.60
MMP12 P39900 4/20 0.60
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADAM17 P78536 2/20 0.37
HPGDS O60760 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
MTNR1B P49286 1/20 0.35
MMP13 P45452 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
SCHEMBL7740102 1.00 MMP2 (0.60) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7741354 0.92 MMP2 (0.61) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741359 0.92 MMP2 (0.61) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739554 0.90 MMP2 (0.61) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL5998377 0.90 MMP2 (0.73) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL5998380 0.90 MMP2 (0.73) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7739551 0.90 MMP2 (0.61) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL7735126 0.89 MMP2 (0.63) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7735123 0.89 MMP2 (0.63) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7739858 0.88 MMP2 (0.69) MMP2MMP9MMP12ALDH1A1ADAM17

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