SCHEMBL11528347

SCHEMBL11528347

CCOC(=O)C1(C(=O)OCC)CC1/C=C/C(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.33
SOAT1 P35610 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL11528355 1.00 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1MAPK1
SCHEMBL11761262 0.93 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX15TDP1MAPK1
SCHEMBL11527732 0.88 MAPK1 (0.32) ALDH1A1MAPK1
SCHEMBL11527735 0.88 MAPK1 (0.32) ALDH1A1MAPK1
SCHEMBL11600232 0.85 MAPK1 (0.34) ALDH1A1MAPK1POLBL3MBTL1HCAR2
SCHEMBL11600228 0.85 MAPK1 (0.34) ALDH1A1MAPK1POLBL3MBTL1HCAR2
SCHEMBL11529324 0.85 TRPA1 (0.35) MAPK1POLB
SCHEMBL11529331 0.85 TRPA1 (0.35) MAPK1POLB
SCHEMBL11511502 0.84 TRPA1 (0.41) POLB
SCHEMBL11511498 0.84 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161608-A 11 Hydroxy methyl 11-deoxyprostaglandin E1 AYERST, MCKENNA AND HARRISON LIMITED (CA) 1979-07-17 US disclosed
US-4100343-A 11-Deoxyprostaglandin derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-07-11 US disclosed
US-4092427-A ANTICOAGULANTS, OXYTOCICS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-30 US disclosed
US-4089898-A 11-Deoxyprostaglandin derivatives AYERST, MCKENNA & HARRISON LTD. (CA) 1978-05-16 US disclosed
US-4048329-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4036856-A PROSTAGLANDINS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-07-19 US disclosed
US-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 US disclosed
US-4006136-A Prostaglandin intermediates AYERST MCKENNA AND HARRISON LTD. (CA) 1977-02-01 US disclosed