SCHEMBL7735246

SCHEMBL7735246

C=C(c1ccc(Cl)cc1)c1ccc(C(=O)NC(COCOC)CC(CCCc2ccccc2)C(=O)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.39
MMP3 P08254 8/20 0.39
MMP9 P14780 8/20 0.39
MMP8 P22894 4/20 0.39
MMP1 P03956 4/20 0.39
CTSL P07711 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP12 P39900 4/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7735253 0.92 HTT (0.41) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7735248 0.92 HTT (0.41) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7741053 0.90 CTSL (0.39) MMP2MMP9CTSLHTTMMP12
SCHEMBL7739498 0.86 MMP2 (0.51) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7739494 0.86 MMP2 (0.51) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7740979 0.82 KMT2A (0.39) MMP9MMP8CTSLSMN1; SMN2HTT
SCHEMBL7741063 0.81 NOS2 (0.44) MMP2MMP9CTSLHTTMMP12
SCHEMBL7741058 0.81 NOS2 (0.44) MMP2MMP9CTSLHTTMMP12
SCHEMBL7741366 0.80 HSP90AA1 (0.47) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7741362 0.80 HSP90AA1 (0.47) MMP2MMP3MMP9MMP8MMP1

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