SCHEMBL8583246

SCHEMBL8583246

CCCc1cccc2c1OC(C(=O)OCC)CC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
CTDSP1 Q9GZU7 1/20 0.40
LTB4R Q15722 10/20 0.40
LTB4R2 Q9NPC1 5/20 0.40
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL11012956 0.89 L3MBTL1 (0.41) CYP4F2CYP4A11L3MBTL1TDP1LTB4R
SCHEMBL6370919 0.85 LTB4R (0.48) LTB4RLTB4R2PPARGPPARA
SCHEMBL30982179 0.82 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL14046828 0.82 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL4246764 0.82 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL7314503 0.81 TDP1 (0.56) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL8587477 0.80 LTB4R (0.50) CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL14092138 0.80 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL14046824 0.79 CYP4F2 (0.48) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL9739640 0.77 CYP4F2 (0.67) CYP4F2CYP4A11L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579412-B1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists LILLY CO ELI (US) 1998-10-07 EP disclosed
EP-0735870-A4 USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 1998-08-19 EP disclosed
EP-0735870-A1 USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
US-5563164-A TREATING ARTHRITIS, PSORIASIS, ASTHMA, INFLAMMATORY BOWEL DISEASE, OR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
US-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5478857-A Administering inhibitor of phospholipase A2 ELI LILLY AND COMPANY (US) 1995-12-26 US disclosed
WO-1995017183-A1 USE OF PLA2 INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed
US-5352690-A For asthma, allergies ELI LILLY AND COMPANY (US) 1994-10-04 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed
EP-0579412-A1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists ELI LILLY AND COMPANY (US) 1994-01-19 EP disclosed