SCHEMBL8847665

SCHEMBL8847665

C=CC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.55
STAT3 P40763 1/20 0.54
PIK3CD O00329 1/20 0.43
IDH1 O75874 10/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.31

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
SCHEMBL8847941 1.00 IL6ST (0.55) IL6STSTAT3PIK3CDIDH1P2RX3
SCHEMBL31519428 0.88 IL6ST (0.54) IL6STSTAT3PIK3CDIDH1FAAH
SCHEMBL31519433 0.88 IL6ST (0.54) IL6STSTAT3PIK3CDIDH1FAAH
SCHEMBL31519430 0.88 IL6ST (0.54) IL6STSTAT3PIK3CDIDH1FAAH
SCHEMBL31519421 0.88 IL6ST (0.54) IL6STSTAT3PIK3CDIDH1FAAH
SCHEMBL8071483 0.85 IL6ST (0.52) IL6STSTAT3PIK3CDIDH1FAAH
SCHEMBL8071484 0.85 IL6ST (0.52) IL6STSTAT3PIK3CDIDH1FAAH
SCHEMBL6432729 0.83 IL6ST (0.50) IL6STSTAT3PIK3CDIDH1NAAA
SCHEMBL30984214 0.80 IL6ST (0.54) IL6STSTAT3PIK3CDIDH1P2RX3
SCHEMBL7428524 0.79 IL6ST (0.50) IL6STSTAT3PIK3CDFAAHNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637731-A CHOLINERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-10 US disclosed
US-5550257-A TREATING CENTRAL CHOLINERGIC DYSFUNCTION AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5451685-A MANUFACTURING PHARMACEUTICALS AMERICAN CYANAMID COMPANY (US) 1995-09-19 US disclosed
US-5356885-A Cholinergic agents; administering for treatment of diseases of the central nervous system AMERICAN CYANAMID COMPANY (US) 1994-10-18 US disclosed
EP-0510333-A1 Substituted oxotremorine derivatives AMERICAN CYANAMID COMPANY (US) 1992-10-28 EP disclosed