SCHEMBL7742529

SCHEMBL7742529

CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
PELP1 Q8IZL8 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP12 P39900 4/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TAS1R3 Q7RTX0 5/20 0.39
TAS1R1 Q7RTX1 5/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL7742527 1.00 AR (0.41) ARPELP1HTTALDH1A1GAA
SCHEMBL7735021 0.89 ALDH1A1 (0.41) ARPELP1HTTALDH1A1GAA
SCHEMBL7735029 0.89 ALDH1A1 (0.41) ARPELP1HTTALDH1A1GAA
SCHEMBL7740992 0.84 MMP2 (0.47) HTTALDH1A1GAAMMP2MMP9
SCHEMBL7740998 0.84 MMP2 (0.47) HTTALDH1A1GAAMMP2MMP9
SCHEMBL7741303 0.83 ATM (0.48) HTTALDH1A1GAAHPGDMMP2
SCHEMBL7741307 0.83 ATM (0.48) HTTALDH1A1GAAHPGDMMP2
SCHEMBL7739440 0.82 ALDH1A1 (0.43) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL7739445 0.82 ALDH1A1 (0.43) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL7741135 0.81 SMN1; SMN2 (0.45) ALDH1A1GAAHPGDMMP2MMP9

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