SCHEMBL7739862

SCHEMBL7739862

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.69
MMP9 P14780 5/20 0.69
MMP12 P39900 4/20 0.69
ADAM17 P78536 1/20 0.43
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 2/20 0.41
MMP1 P03956 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
MMP13 P45452 2/20 0.40
CTSB P07858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP3 P08254 1/20 0.38
ANPEP P15144 1/20 0.38
MME P08473 1/20 0.38
MMEL1 Q495T6 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
SCHEMBL7739858 1.00 MMP2 (0.69) MMP2MMP9MMP12ADAM17BCL2L1
SCHEMBL5998380 0.97 MMP2 (0.73) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL5998377 0.97 MMP2 (0.73) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7735123 0.94 MMP2 (0.63) MMP2MMP9MMP12ADAM17BCL2L1
SCHEMBL7735126 0.94 MMP2 (0.63) MMP2MMP9MMP12ADAM17BCL2L1
SCHEMBL7740362 0.93 MMP2 (0.59) MMP2MMP9MMP12ALDH1A1CYP3A4
SCHEMBL7740363 0.93 MMP2 (0.59) MMP2MMP9MMP12ALDH1A1CYP3A4
SCHEMBL7740015 0.93 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1CYP3A4
SCHEMBL7740017 0.93 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1CYP3A4
SCHEMBL5998713 0.90 MMP2 (0.69) 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