SCHEMBL7203421

SCHEMBL7203421

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.50
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP14 P50281 1/20 0.47
OPRK1 P41145 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CAPN1 P07384 1/20 0.43
PTGER4 P35408 1/20 0.43

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
SCHEMBL8205976 1.00 CTSL (0.50) CTSLCTSBCTSSCTSKKDM1A
SCHEMBL7205858 0.87 CTSS (0.47) CTSLCTSBCTSSCTSKMMP9
SCHEMBL7205866 0.87 CTSS (0.47) CTSLCTSBCTSSCTSKMMP9
SCHEMBL7203966 0.85 MMP9 (0.53) MMP9MMP8MMP14OPRK1CYP3A4
SCHEMBL7203960 0.85 MMP9 (0.53) MMP9MMP8MMP14OPRK1CYP3A4
SCHEMBL14513403 0.85 MMP9 (0.63) MMP9MMP8MMP14LMNACAPN1
SCHEMBL5587642 0.85 MMP9 (0.63) MMP9MMP8MMP14LMNACAPN1
Hydrochloric Acid SCHEMBL7205259 0.83 MMP9 (0.51) KDM1AMAOAMMP9MMP8MMP14
Hydrochloric Acid SCHEMBL8199774 0.83 MMP9 (0.51) KDM1AMAOAMMP9MMP8MMP14
SCHEMBL7203001 0.83 MMP9 (0.55) MMP9MMP8MMP14ALDH1A1

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