SCHEMBL7734723

SCHEMBL7734723

CCCCCC#Cc1ccc(-c2ccc(C(=O)NCCCC(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.61
MMP12 P39900 1/20 0.61
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
MAPK1 P28482 1/20 0.50
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
EPHX2 P34913 3/20 0.48
NAAA Q02083 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SOST Q9BQB4 1/20 0.45
MAPK8 P45983 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PTPN7 P35236 1/20 0.43

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
SCHEMBL7735115 0.89 HDAC1 (0.54) MMP2MMP12FFAR1FFAR4L3MBTL1
SCHEMBL7734911 0.85 MMP2 (0.53) MMP2MMP12FFAR1FFAR4L3MBTL1
SCHEMBL6936308 0.79 MMP2 (0.67) MMP2MMP12FFAR1FFAR4
SCHEMBL7740315 0.78 S1PR1 (0.62) MAPK1DRD2DRD4DRD3NAAA
SCHEMBL7741075 0.78 MAPK1 (0.55) MMP2MMP12MAPK1DRD2DRD4
SCHEMBL7740826 0.77 MAPK1 (0.60) FFAR1MAPK1EPHX2L3MBTL1CA1
SCHEMBL15480468 0.77 MAPK1 (0.84) MAPK1NAAAL3MBTL1CA1CA2
SCHEMBL7741009 0.76 MAPK1 (0.59) MAPK1DRD2DRD4DRD3L3MBTL1
SCHEMBL16151544 0.76 NAAA (0.72) MMP2MMP12DRD2DRD4DRD3
SCHEMBL27722036 0.76 MAPK1 (0.67) MAPK1NAAAL3MBTL1CA1CA2

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 2 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 disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed