SCHEMBL7202940

SCHEMBL7202940

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
MMP14 P50281 1/20 0.50
CAPN1 P07384 2/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
KLKB1 P03952 1/20 0.45
PYGL P06737 5/20 0.43
MMP3 P08254 1/20 0.42
ITGA4 P13612 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TACR1 P25103 1/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41

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
SCHEMBL7202948 1.00 MMP9 (0.50) MMP9MMP8MMP14CAPN1PLG
SCHEMBL7205323 0.92 MMP9 (0.55) MMP9MMP8MMP14CAPN1PYGL
SCHEMBL7205316 0.92 MMP9 (0.55) MMP9MMP8MMP14CAPN1PYGL
SCHEMBL7205260 0.89 MMP9 (0.50) MMP9MMP8MMP14CAPN1PYGL
SCHEMBL7205257 0.89 MMP9 (0.50) MMP9MMP8MMP14CAPN1PYGL
SCHEMBL7204423 0.88 KMT2A (0.52) MMP9MMP8MMP14CAPN1ITGA4
SCHEMBL7204426 0.88 KMT2A (0.52) MMP9MMP8MMP14CAPN1ITGA4
SCHEMBL7207193 0.88 F13A1 (0.56) MMP9MMP8MMP14CAPN1ITGA4
SCHEMBL14513403 0.88 MMP9 (0.63) MMP9MMP8MMP14CAPN1PYGL
SCHEMBL7203445 0.88 MMP9 (0.48) MMP9MMP8MMP14CAPN1PYGL

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