SCHEMBL9417839

SCHEMBL9417839

C=CCc1cc(C(=O)CO)ccc1OCCCCBr

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.41
ELANE P08246 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL9733362 0.99 KDM4E (0.46) KDM4ELMNAL3MBTL1MAPK1PTGDR
SCHEMBL9417874 0.99 KDM4E (0.46) KDM4ELMNAL3MBTL1MAPK1PTGDR
SCHEMBL9417900 0.99 KDM4E (0.46) KDM4ELMNAL3MBTL1MAPK1PTGDR
SCHEMBL9417760 0.91 KDM4E (0.50) KDM4ELMNAL3MBTL1MAPK1PTGDR
SCHEMBL9417943 0.90 PTGDR (0.47) KDM4ELMNAL3MBTL1MAPK1PTGDR
SCHEMBL9417845 0.88 CNR2 (0.50) KDM4ELMNAL3MBTL1MAPK1THRB
SCHEMBL9417984 0.88 CNR2 (0.53) KDM4ELMNAL3MBTL1MAPK1ALDH1A1
SCHEMBL9734673 0.88 PTGDR (0.45) KDM4ELMNAL3MBTL1MAPK1PTGDR
SCHEMBL9417815 0.87 PLA2G2D (0.51) L3MBTL1MAPK1ALDH1A1THRBCNR2
SCHEMBL9417954 0.87 PLA2G2D (0.51) L3MBTL1MAPK1ALDH1A1THRBCNR2

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-5294613-A Benzene derivatives of p-substituted ether and acid or ester ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US disclosed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 EP disclosed
EP-0276065-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed