SCHEMBL7735248

SCHEMBL7735248

COCOC[C@H](C[C@H](CCCc1ccccc1)C(=O)NO)NC(=O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 10/20 0.39
MMP3 P08254 7/20 0.39
MMP9 P14780 6/20 0.39
MMP8 P22894 4/20 0.39
MMP1 P03956 4/20 0.39
CTSL P07711 1/20 0.39
NOS2 P35228 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KCNA3 P22001 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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 1.00 HTT (0.41) HTTLMNAGAAMMP2MMP3
SCHEMBL7735246 0.92 MMP2 (0.39) HTTMMP2MMP3MMP9MMP8
SCHEMBL7741063 0.90 NOS2 (0.44) HTTLMNAGAAMMP2MMP9
SCHEMBL7741058 0.90 NOS2 (0.44) HTTLMNAGAAMMP2MMP9
SCHEMBL7739498 0.86 MMP2 (0.51) HTTMMP2MMP3MMP9MMP8
SCHEMBL7739494 0.86 MMP2 (0.51) HTTMMP2MMP3MMP9MMP8
SCHEMBL7740988 0.82 KMT2A (0.39) HTTLMNAGAANOS2SMN1; SMN2
SCHEMBL7740981 0.82 KMT2A (0.39) HTTLMNAGAANOS2SMN1; SMN2
SCHEMBL7734795 0.81 MMP2 (0.47) HTTLMNAMMP2MMP9NOS2
SCHEMBL7734798 0.81 MMP2 (0.47) HTTLMNAMMP2MMP9NOS2

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