SCHEMBL7741396

SCHEMBL7741396

C=CC[C@@H](C[C@@H](COCOCC)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.52
MMP9 P14780 5/20 0.52
MMP12 P39900 4/20 0.52
ADAM17 P78536 1/20 0.40
MMP1 P03956 1/20 0.38
MMP13 P45452 4/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
UTS2R Q9UKP6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP3 P08254 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
SCHEMBL7735083 1.00 MMP2 (0.52) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7735079 1.00 MMP2 (0.52) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7742561 1.00 MMP2 (0.52) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7735070 0.92 MMP2 (0.52) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7735068 0.92 MMP2 (0.52) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7742626 0.92 MMP2 (0.45) MMP2MMP9MMP12MMP1MMP13
SCHEMBL7742606 0.92 MMP2 (0.45) MMP2MMP9MMP12MMP1MMP13
SCHEMBL7742608 0.92 MMP2 (0.45) MMP2MMP9MMP12MMP1MMP13
SCHEMBL7742598 0.90 MMP2 (0.56) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7742607 0.90 MMP2 (0.56) MMP2MMP9MMP12ADAM17MMP1

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 5 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
EP-0664802-B1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 2000-03-15 EP disclosed