SCHEMBL7739609

SCHEMBL7739609

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.58
MMP9 P14780 5/20 0.58
MMP12 P39900 4/20 0.58
ADAM17 P78536 1/20 0.45
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
EPHX2 P34913 1/20 0.43
MMP1 P03956 1/20 0.41
MMP13 P45452 3/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HDAC3 O15379 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CTSL P07711 1/20 0.38
PPARD Q03181 1/20 0.38
CRHBP P24387 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
SCHEMBL7739605 1.00 MMP2 (0.58) MMP2MMP9MMP12ADAM17PPARG
SCHEMBL7734888 0.88 MMP2 (0.74) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7734890 0.88 MMP2 (0.74) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7742607 0.83 MMP2 (0.56) MMP2MMP9MMP12ADAM17PPARG
SCHEMBL7739432 0.83 MMP2 (0.56) MMP2MMP9MMP12ADAM17PPARG
SCHEMBL7742598 0.83 MMP2 (0.56) MMP2MMP9MMP12ADAM17PPARG
SCHEMBL7739424 0.83 MMP2 (0.56) MMP2MMP9MMP12ADAM17PPARG
SCHEMBL7734951 0.81 MMP2 (0.53) MMP2MMP9MMP12ADAM17PPARG
SCHEMBL7734955 0.81 MMP2 (0.53) MMP2MMP9MMP12ADAM17PPARG
SCHEMBL6300597 0.77 NPC1 (0.53) MMP2MMP9MMP12ALDH1A1CTSL

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