SCHEMBL7740481

SCHEMBL7740481

O=C(CC(O)CNC(=O)c1ccc(-c2cc3ccccc3o2)cc1)NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
HDAC6 Q9UBN7 4/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NPY1R P25929 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
HDAC2 Q92769 2/20 0.45
MAOB P27338 2/20 0.44
P2RY14 Q15391 1/20 0.43
ADCY6 O43306 3/20 0.43
ADCY3 O60266 3/20 0.43
ADCY9 O60503 3/20 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
SCHEMBL7741101 1.00 MMP12 (0.50) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7740487 1.00 MMP12 (0.50) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7739507 0.89 MMP12 (0.64) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7739512 0.89 MMP12 (0.64) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7740347 0.89 MMP12 (0.64) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7741042 0.86 MMP12 (0.49) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7741040 0.86 MMP12 (0.49) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7734836 0.82 HDAC6 (0.42) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7739540 0.82 HDAC6 (0.42) MMP12MMP13HDAC6NPC1RAB9A
SCHEMBL7734842 0.82 HDAC6 (0.42) MMP12MMP13HDAC6NPC1RAB9A

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