SCHEMBL7207459

SCHEMBL7207459

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.47
F7 P08709 1/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
PPARG P37231 2/20 0.43
RAB9A P51151 1/20 0.43
PYGL P06737 2/20 0.41
ACACB O00763 1/20 0.41
EPHX2 P34913 1/20 0.41
CAPN1 P07384 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
TACR1 P25103 1/20 0.40
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7205316 0.87 MMP9 (0.55) ITGA4MMP9MMP8MMP14PYGL
SCHEMBL7205323 0.87 MMP9 (0.55) ITGA4MMP9MMP8MMP14PYGL
SCHEMBL7204598 0.86 MAPT (0.51) F7MMP9MMP8MMP14HDAC1
SCHEMBL7202948 0.86 MMP9 (0.50) ITGA4F7MMP9MMP8MMP14
SCHEMBL7205260 0.86 MMP9 (0.50) ITGA4MMP9MMP8MMP14PYGL
SCHEMBL7202940 0.86 MMP9 (0.50) ITGA4F7MMP9MMP8MMP14
SCHEMBL7205257 0.86 MMP9 (0.50) ITGA4MMP9MMP8MMP14PYGL
SCHEMBL7203005 0.85 MMP9 (0.55) MMP9MMP8MMP14PYGLTACR1
SCHEMBL7203001 0.85 MMP9 (0.55) MMP9MMP8MMP14PYGLTACR1
SCHEMBL7203452 0.84 MMP9 (0.48) ITGA4MMP9MMP8MMP14PYGL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed