SCHEMBL9417830

SCHEMBL9417830

C=CCc1cc(C(=O)CCCC(=O)O)c(OC)cc1OCCCCC#N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.50
PTPN1 P18031 2/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9417886 0.88 L3MBTL1 (0.41) PPARAMAPTL3MBTL1LMNAKDM4E
SCHEMBL9417949 0.87 PPARA (0.42) PPARAPTPN1L3MBTL1LMNAKDM4E
SCHEMBL9417761 0.86 NR1H4 (0.42) PPARAMAPTL3MBTL1LMNAMAPK1
SCHEMBL9417831 0.82 ELANE (0.43) PPARAMAPTL3MBTL1LMNAKDM4E
SCHEMBL9417832 0.78 NR1H4 (0.49) L3MBTL1LMNAALDH1A1MAPK1THRB
SCHEMBL9417917 0.77 NR1H4 (0.47) ALDH1A1MEN1KMT2ATHRBTSHR
SCHEMBL9417928 0.76 NR1H4 (0.44) L3MBTL1LMNAKDM4EALDH1A1MAPK1
SCHEMBL9735495 0.76 NR1H4 (0.48) ALDH1A1MEN1KMT2ATHRBTSHR
SCHEMBL9417877 0.76 LTB4R (0.42) L3MBTL1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL9417782 0.75 LTB4R (0.43) L3MBTL1ALDH1A1MAPK1MEN1KMT2A

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