SCHEMBL9417954

SCHEMBL9417954

C=CCc1cc(C(=O)CO)ccc1OCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.51
THRA P10827 8/20 0.50
CNR2 P34972 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 1/20 0.48
THRB P10828 7/20 0.48
LTB4R Q15722 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9417815 1.00 PLA2G2D (0.51) PLA2G2DTHRACNR2MAPK1L3MBTL1
SCHEMBL9417820 1.00 PLA2G2D (0.51) PLA2G2DTHRACNR2MAPK1L3MBTL1
SCHEMBL9417845 0.99 CNR2 (0.50) PLA2G2DTHRACNR2MAPK1L3MBTL1
SCHEMBL9417984 0.96 CNR2 (0.53) PLA2G2DTHRACNR2MAPK1L3MBTL1
SCHEMBL9417874 0.89 KDM4E (0.46) CNR2MAPK1L3MBTL1THRBALDH1A1
SCHEMBL9733362 0.89 KDM4E (0.46) CNR2MAPK1L3MBTL1THRBALDH1A1
SCHEMBL9417900 0.89 KDM4E (0.46) CNR2MAPK1L3MBTL1THRBALDH1A1
SCHEMBL9417760 0.88 KDM4E (0.50) CNR2MAPK1L3MBTL1THRBALDH1A1
SCHEMBL9417943 0.87 PTGDR (0.47) MAPK1L3MBTL1THRBALDH1A1
SCHEMBL9417839 0.87 KDM4E (0.46) CNR2MAPK1L3MBTL1THRBALDH1A1

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 4 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