SCHEMBL7762702

SCHEMBL7762702

CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 1/20 0.46
NPY5R Q15761 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
HPGD P15428 1/20 0.44
NQO2 P16083 1/20 0.43
ANPEP P15144 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
GAA P10253 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 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
SCHEMBL8117546 0.86 NPY5R (0.46) ALDH1A1KDM4EKMT2AL3MBTL1EPHX1
SCHEMBL5327739 0.84 KDM4E (0.50) KDM4EKMT2AL3MBTL1CA1CA2
SCHEMBL5327734 0.84 KDM4E (0.50) KDM4EKMT2AL3MBTL1CA1CA2
SCHEMBL7765665 0.82 ANPEP (0.64) KDM4EANPEPGSK3B
SCHEMBL31203452 0.81 CYP1A2 (0.54) ALDH1A1EPHX1NPY5RCA1CA2
SCHEMBL8349352 0.80 CA1 (0.47) ALDH1A1KDM4EKMT2AL3MBTL1CA1
SCHEMBL6033439 0.79 KDM4E (0.51) ALDH1A1KDM4EKMT2AL3MBTL1EPHX1
SCHEMBL6033443 0.79 KDM4E (0.51) ALDH1A1KDM4EKMT2AL3MBTL1EPHX1
SCHEMBL2928021 0.79 MEN1 (0.53) ALDH1A1KMT2ACA1CA2ANPEP
Hydrochloric Acid SCHEMBL10603453 0.78 KDM4E (0.50) ALDH1A1KDM4EKMT2AL3MBTL1EPHX1

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-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed