SCHEMBL7741366

SCHEMBL7741366

CCOCOC[C@H](C[C@H](CCCc1ccccc1)C(=O)NO)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.47
KMT2A Q03164 2/20 0.47
MMP2 P08253 9/20 0.42
MMP9 P14780 9/20 0.42
MMP1 P03956 5/20 0.42
MMP8 P22894 4/20 0.42
MMP3 P08254 4/20 0.42
HDAC3 O15379 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
PRSS1 P07477 1/20 0.39
CMA1 P23946 1/20 0.39
MMP12 P39900 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL7741362 1.00 HSP90AA1 (0.47) HSP90AA1KMT2AMMP2MMP9MMP1
SCHEMBL7739419 0.89 NPC1 (0.45) KMT2AMMP2MMP9MMP1MMP8
SCHEMBL7739421 0.89 NPC1 (0.45) KMT2AMMP2MMP9MMP1MMP8
SCHEMBL7740721 0.89 KMT2A (0.43) HSP90AA1KMT2AMMP2MMP9MMP8
SCHEMBL7740718 0.89 KMT2A (0.43) HSP90AA1KMT2AMMP2MMP9MMP8
SCHEMBL7740367 0.87 KMT2A (0.42) HSP90AA1KMT2AMMP2MMP9SMN1; SMN2
SCHEMBL7740365 0.87 KMT2A (0.42) HSP90AA1KMT2AMMP2MMP9SMN1; SMN2
SCHEMBL7739498 0.83 MMP2 (0.51) KMT2AMMP2MMP9MMP1MMP8
SCHEMBL7739494 0.83 MMP2 (0.51) KMT2AMMP2MMP9MMP1MMP8
SCHEMBL7740343 0.83 PIN1 (0.49) MMP2MMP9MMP8HDAC3HDAC8

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
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