SCHEMBL7740863

SCHEMBL7740863

COCOCC(CC(CC(C)C)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.58
MMP9 P14780 5/20 0.58
MMP12 P39900 4/20 0.58
ADAM17 P78536 1/20 0.45
MMP13 P45452 4/20 0.42
MMP1 P03956 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.38
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL7740871 1.00 MMP2 (0.58) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7739424 0.91 MMP2 (0.56) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7739432 0.91 MMP2 (0.56) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7739319 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7741137 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7740533 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7739309 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7734671 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL7734666 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP13
SCHEMBL5998380 0.89 MMP2 (0.73) MMP2MMP9MMP12ADAM17MMP13

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