SCHEMBL7742781

SCHEMBL7742781

CCOCOCC(CC(C)C(=O)NO)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
MMP9 P14780 4/20 0.51
MMP12 P39900 4/20 0.51
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7742784 1.00 MMP2 (0.51) MMP2MMP9MMP12HPGDNPC1
SCHEMBL7740288 0.91 MMP2 (0.51) MMP2MMP9MMP12HPGDKMT2A
SCHEMBL7740289 0.91 MMP2 (0.51) MMP2MMP9MMP12HPGDKMT2A
SCHEMBL7741055 0.90 MMP2 (0.50) MMP2MMP9MMP12HPGDNPC1
SCHEMBL7741060 0.90 MMP2 (0.50) MMP2MMP9MMP12HPGDNPC1
SCHEMBL7739459 0.90 MMP2 (0.50) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7739462 0.90 MMP2 (0.50) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7742544 0.90 HPGD (0.43) MMP2MMP9MMP12HPGDNPC1
SCHEMBL7742540 0.90 HPGD (0.43) MMP2MMP9MMP12HPGDNPC1
SCHEMBL7739873 0.88 MMP2 (0.48) MMP2MMP9MMP12KMT2ATAS1R3

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