SCHEMBL7740938

SCHEMBL7740938

CCOCOC[C@H](C[C@H](C)C(=O)O)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP12 P39900 4/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TRPA1 O75762 1/20 0.38
MME P08473 1/20 0.38
MMEL1 Q495T6 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL7740937 1.00 HTT (0.52) HTTSMN1; SMN2NPSR1MMP2MMP9
SCHEMBL7739459 0.89 MMP2 (0.50) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL7739462 0.89 MMP2 (0.50) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL7742544 0.88 HPGD (0.43) HTTSMN1; SMN2NPSR1MMP2MMP9
SCHEMBL7742540 0.88 HPGD (0.43) HTTSMN1; SMN2NPSR1MMP2MMP9
SCHEMBL7739285 0.85 MMP2 (0.57) SMN1; SMN2NPSR1MMP2MMP9MMP12
SCHEMBL7739744 0.85 HTT (0.49) HTTSMN1; SMN2TAS1R3TAS1R1KDM4E
SCHEMBL6299559 0.85 HTT (0.49) HTTSMN1; SMN2TAS1R3TAS1R1KDM4E
SCHEMBL6299563 0.85 HTT (0.49) HTTSMN1; SMN2TAS1R3TAS1R1KDM4E
SCHEMBL7739292 0.85 MMP2 (0.57) SMN1; SMN2NPSR1MMP2MMP9MMP12

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