SCHEMBL7210401

SCHEMBL7210401

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.48
CA1 P00915 6/20 0.48
CA12 O43570 2/20 0.48
CA5A P35218 3/20 0.48
CA7 P43166 2/20 0.48
CA5B Q9Y2D0 1/20 0.48
CA4 P22748 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7210404 1.00 CA2 (0.48) CA2CA1CA12CA5ACA7
SCHEMBL7203960 0.90 MMP9 (0.53) KMT2AALDH1A1
SCHEMBL7203966 0.90 MMP9 (0.53) KMT2AALDH1A1
SCHEMBL7204419 0.89 MMP9 (0.47) KMT2AALDH1A1
SCHEMBL7204427 0.89 MMP9 (0.47) KMT2AALDH1A1
SCHEMBL7205538 0.86 SMN1; SMN2 (0.54) CA2CA1CA12CA5ACA7
SCHEMBL7205544 0.86 SMN1; SMN2 (0.54) CA2CA1CA12CA5ACA7
SCHEMBL30552675 0.84 KMT2A (0.46) MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7205259 0.82 MMP9 (0.51)
Hydrochloric Acid SCHEMBL8199774 0.82 MMP9 (0.51)

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 3 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
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed