SCHEMBL7739555

SCHEMBL7739555

COCOCC(CC(Cc1ccccc1)C(=O)NO)NC(=O)c1ccc(C#CCCCCc2ncc[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CTSL P07711 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP12 P39900 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL7739557 1.00 ITGB1 (0.35) ITGB1ITGA4PPARGPPARDPPARA
SCHEMBL7739758 0.82 MMP2 (0.40) MMP2MMP9MMP12GAAACACB
SCHEMBL7742624 0.82 MMP2 (0.40) MMP2MMP9MMP12GAAACACB
SCHEMBL7739761 0.82 MMP2 (0.40) MMP2MMP9MMP12GAAACACB
SCHEMBL7735314 0.81 PLG (0.39) ITGB1ITGA4MMP2MMP12ACACB
SCHEMBL7735312 0.81 PLG (0.39) ITGB1ITGA4MMP2MMP12ACACB
SCHEMBL7734671 0.75 MMP2 (0.54) PPARGPPARDPPARACTSLMMP2
SCHEMBL7741137 0.75 MMP2 (0.54) PPARGPPARDPPARACTSLMMP2
SCHEMBL7734666 0.75 MMP2 (0.54) PPARGPPARDPPARACTSLMMP2
SCHEMBL7740533 0.75 MMP2 (0.54) PPARGPPARDPPARACTSLMMP2

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