SCHEMBL7477725

SCHEMBL7477725

CC(C)(C)OC(=O)C1=CC=NC=CN1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.33
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA2 P47869 5/20 0.33
GABRA5 P31644 4/20 0.33
GABRA4 P48169 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRE P78334 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL6193368 0.75 CA12 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15012527 0.74 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1615450 0.74 ELANE (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4727437 0.73
SCHEMBL30275444 0.69 ALDH1A1 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30356675 0.68 TP53 (0.32)
SCHEMBL30136988 0.67 TP53 (0.31) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7646844 0.67 ADORA2B (0.32) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15012524 0.66 CYP2C9 (0.31) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10815505 0.64 CA12 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923561-B1 HETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-10-23 EP disclosed
US-6399598-B1 ORAL DISEASES; RHEUMATIC DISEASES; OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY 2002-06-04 US disclosed
US-6121258-A FOR TREATMENT OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION, GUM DISEASE THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed
CN-1228772-A Heterocyclic metalloprotease inhibitors PROCTER & GAMBLE (US) 1999-09-15 CN disclosed