SCHEMBL7740338

SCHEMBL7740338

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(C=Cc2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP12 P39900 4/20 0.46
SNCA P37840 2/20 0.36
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ROCK2 O75116 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ROCK1 Q13464 1/20 0.33
PRKG1 Q13976 1/20 0.33

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
SCHEMBL7740331 1.00 KDM1A (0.46) KDM1AHDAC1HDAC6MMP2MMP9
SCHEMBL7734801 0.89 MMP2 (0.47) HDAC1HDAC6MMP2MMP9MMP12
SCHEMBL7734795 0.89 MMP2 (0.47) HDAC1HDAC6MMP2MMP9MMP12
SCHEMBL7734798 0.89 MMP2 (0.47) HDAC1HDAC6MMP2MMP9MMP12
SCHEMBL7740323 0.88 MMP2 (0.46) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741007 0.83 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741003 0.83 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740329 0.81 MMP2 (0.57) HDAC1MMP2MMP9MMP12TAS1R3
SCHEMBL7740336 0.81 MMP2 (0.57) HDAC1MMP2MMP9MMP12TAS1R3
SCHEMBL7740017 0.81 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1RAB9A

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