SCHEMBL7739485

SCHEMBL7739485

COC(OC)[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NPY1R P25929 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
HDAC2 Q92769 2/20 0.40
ADCY6 O43306 2/20 0.40
ADCY3 O60266 2/20 0.40

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
SCHEMBL7741056 0.90 ALDH1A1 (0.44) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7741090 0.87 ADCY6 (0.46) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7741211 0.84 P2RY14 (0.44) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7742756 0.84 PIN1 (0.42) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7740821 0.84 ADCY6 (0.44) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7739474 0.82 MMP2 (0.46) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7739501 0.82 MMP2 (0.46) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7741343 0.82 ADCY6 (0.49) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7734813 0.82 KDM4E (0.45) HDAC6KDM4EMEN1NPC1ALDH1A1
SCHEMBL7740709 0.81 ADCY6 (0.46) HDAC6KDM4EMEN1NPC1ALDH1A1

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