SCHEMBL9417832

SCHEMBL9417832

C=CCc1cc(C(=O)CCCCCCCCC)c(O)cc1OCCCCC#N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.49
CNR2 P34972 6/20 0.39
CNR1 P21554 5/20 0.39
HTT P42858 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9417949 0.89 PPARA (0.42) NR1H4L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL9417928 0.88 NR1H4 (0.44) NR1H4CNR2CNR1L3MBTL1MAPK1
SCHEMBL9417782 0.85 LTB4R (0.43) NR1H4HTTTHRBL3MBTL1MAPK1
SCHEMBL9417846 0.85 LTB4R (0.43) NR1H4HTTTHRBL3MBTL1MAPK1
SCHEMBL9417879 0.85 LTB4R (0.43) NR1H4HTTTHRBL3MBTL1MAPK1
SCHEMBL9417852 0.85 LTB4R (0.43) NR1H4HTTTHRBL3MBTL1MAPK1
SCHEMBL9417929 0.85 LTB4R (0.43) NR1H4HTTTHRBL3MBTL1MAPK1
SCHEMBL9417877 0.84 LTB4R (0.42) NR1H4HTTTHRBL3MBTL1MAPK1
SCHEMBL9735495 0.82 NR1H4 (0.48) NR1H4THRBALDH1A1HPGD
SCHEMBL9417953 0.82 LTB4R (0.42) NR1H4THRBL3MBTL1MAPK1ALDH1A1

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