SCHEMBL7739319

SCHEMBL7739319

CCC[C@@H](C[C@@H](COCOC)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.54
MMP9 P14780 5/20 0.54
MMP12 P39900 4/20 0.54
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
ADAM17 P78536 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 2/20 0.40
MMP1 P03956 1/20 0.40
MMP13 P45452 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 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
SCHEMBL7739309 1.00 MMP2 (0.54) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739432 0.92 MMP2 (0.56) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739424 0.92 MMP2 (0.56) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740871 0.89 MMP2 (0.58) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740863 0.89 MMP2 (0.58) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7739498 0.89 MMP2 (0.51) MMP2MMP9MMP12ADAM17SMN1; SMN2
SCHEMBL7739494 0.89 MMP2 (0.51) MMP2MMP9MMP12ADAM17SMN1; SMN2
SCHEMBL7741137 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7740533 0.89 MMP2 (0.54) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7734671 0.89 MMP2 (0.54) 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 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