SCHEMBL7740858

SCHEMBL7740858

COC(=O)CC[C@@H](CO)NC(=O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.46
NPY1R P25929 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADCY6 O43306 3/20 0.44
ADCY3 O60266 3/20 0.44
ADCY9 O60503 3/20 0.44
ADCY5 O95622 3/20 0.44
ADCY8 P40145 3/20 0.44
GCGR P47871 3/20 0.44
ADCY7 P51828 3/20 0.44
ADCY2 Q08462 3/20 0.44
ADCY1 Q08828 3/20 0.44

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
SCHEMBL7740853 1.00 KDM4E (0.46) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7741089 0.89 MMP12 (0.50) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7741085 0.89 MMP12 (0.50) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7734818 0.88 KDM4E (0.42) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7734807 0.88 KDM4E (0.42) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7741270 0.87 HDAC6 (0.46) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7741273 0.87 HDAC6 (0.46) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7740929 0.86 PIN1 (0.49) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7740932 0.86 PIN1 (0.49) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL7734940 0.85 ADCY6 (0.41) KDM4EMEN1NPC1ALDH1A1NFKB1

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