SCHEMBL11600232

SCHEMBL11600232

CCOC(=O)C1(C(=O)OCC)CC1C=CC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLO1 Q04760 1/20 0.31
ATM Q13315 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
SCHEMBL11600228 1.00 MAPK1 (0.34) MAPK1LMNAALDH1A1HSD17B10POLB
SCHEMBL11528347 0.85 ALDH1A1 (0.38) MAPK1ALDH1A1POLBHCAR2L3MBTL1
SCHEMBL11528355 0.85 ALDH1A1 (0.38) MAPK1ALDH1A1POLBHCAR2L3MBTL1
SCHEMBL11527735 0.83 MAPK1 (0.32) MAPK1ALDH1A1
SCHEMBL11527732 0.83 MAPK1 (0.32) MAPK1ALDH1A1
SCHEMBL11599820 0.81 CYP4F2 (0.31)
SCHEMBL11599824 0.81 CYP4F2 (0.31)
SCHEMBL11529324 0.80 TRPA1 (0.35) MAPK1POLBATM
SCHEMBL11529331 0.80 TRPA1 (0.35) MAPK1POLBATM
SCHEMBL11511502 0.79 TRPA1 (0.41) POLB

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-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 US claimed
US-4092427-A ANTICOAGULANTS, OXYTOCICS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-30 US disclosed
US-4048329-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4048328-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 US disclosed