SCHEMBL7740792

SCHEMBL7740792

COCOCC(CC(CC=Cc1ccccc1)C(=O)O)NC(=O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.42
GRIK1 P39086 6/20 0.37
GRIK2 Q13002 6/20 0.37
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NPY1R P25929 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADCY6 O43306 3/20 0.36
ADCY3 O60266 3/20 0.36
ADCY9 O60503 3/20 0.36
ADCY5 O95622 3/20 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
SCHEMBL7740794 1.00 PIN1 (0.42) PIN1GRIK1GRIK2HDAC2HDAC6
SCHEMBL7740789 1.00 PIN1 (0.42) PIN1GRIK1GRIK2HDAC2HDAC6
SCHEMBL7742753 0.94 PIN1 (0.40) PIN1HDAC2HDAC6KDM4EMEN1
SCHEMBL7742761 0.94 PIN1 (0.40) PIN1HDAC2HDAC6KDM4EMEN1
SCHEMBL7742764 0.94 PIN1 (0.40) PIN1HDAC2HDAC6KDM4EMEN1
SCHEMBL7740705 0.86 ADCY6 (0.44) PIN1HDAC2KDM4EMEN1NPC1
SCHEMBL7740713 0.86 ADCY6 (0.44) PIN1HDAC2KDM4EMEN1NPC1
SCHEMBL7741052 0.84 MME (0.41) PIN1HDAC2HDAC6KDM4EMEN1
SCHEMBL7741065 0.84 MME (0.41) PIN1HDAC2HDAC6KDM4EMEN1
SCHEMBL7740790 0.84 PIN1 (0.45) PIN1GRIK1GRIK2HDAC2HDAC6

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