SCHEMBL7742572

SCHEMBL7742572

COCOCC(CC(Cc1ccccn1)C(=O)NO)NC(=O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 3/20 0.36
ADCY3 O60266 3/20 0.36
ADCY9 O60503 3/20 0.36
ADCY5 O95622 3/20 0.36
ADCY8 P40145 3/20 0.36
GCGR P47871 3/20 0.36
ADCY7 P51828 3/20 0.36
ADCY2 Q08462 3/20 0.36
ADCY1 Q08828 3/20 0.36
ADCY4 Q8NFM4 3/20 0.36
HDAC6 Q9UBN7 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL7742576 1.00 ADCY6 (0.36) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7734703 0.88 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7741092 0.88 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7734704 0.88 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7734820 0.86 ADCY6 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7734814 0.86 ADCY6 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7739501 0.84 MMP2 (0.46) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7739474 0.84 MMP2 (0.46) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7742764 0.83 PIN1 (0.40) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740825 0.83 ADCY6 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8

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