SCHEMBL6546035

SCHEMBL6546035

CCOP(=O)(OCC)C(C#N)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
TSHR P16473 2/20 0.38
HMGCR P04035 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.32

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
SCHEMBL2580862 0.75 TSHR (0.41) ACHETSHRCYP3A4CYP2C9CYP2C19
SCHEMBL9342999 0.75 TSHR (0.41) ACHETSHRHMGCRCYP3A4CYP2C9
SCHEMBL19398888 0.74 ACHE (0.34) ACHETSHRCYP3A4CYP2C9CYP2C19
SCHEMBL10842123 0.73 ACHE (0.36) ACHETSHRHMGCRCYP3A4CYP2C9
SCHEMBL22455362 0.72 TSHR (0.42) ACHETSHRHMGCRCYP3A4CYP2C9
SCHEMBL124930 0.72 TSHR (0.42) ACHETSHRHMGCRCYP3A4CYP2C9
SCHEMBL23774976 0.71 TSHR (0.41) ACHETSHRHMGCRCYP3A4CYP2C9
SCHEMBL6527556 0.71 TSHR (0.41) ACHETSHRHMGCRCYP3A4CYP2C9
SCHEMBL5105445 0.71 TSHR (0.46) ACHETSHRHMGCRCYP3A4CYP2C9
SCHEMBL25519711 0.71 TSHR (0.41) ACHETSHRHMGCRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420011-A1 Compounds usefulfor treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-05-19 EP disclosed
EP-1380571-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 2004-01-14 EP disclosed
EP-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP disclosed
EP-0633776-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-05-09 EP disclosed
EP-0633775-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND FOR INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2000-05-31 EP disclosed
EP-0919544-A1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1999-06-02 EP disclosed
US-5643946-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed
US-5614540-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-03-25 US disclosed
US-5602157-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-02-11 US disclosed
US-5552438-A Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1996-09-03 US disclosed
EP-0633775-A4 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND FOR INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR. 1995-02-22 EP disclosed
EP-0633776-A4 1995-01-25 EP disclosed
EP-0633776-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-18 EP disclosed
EP-0633775-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND FOR INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1995-01-18 EP disclosed
WO-1993019749-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed
WO-1993019748-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND FOR INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed