SCHEMBL9417837

SCHEMBL9417837

CCc1cc(C(=O)c2ccccc2)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.55
MAPT P10636 7/20 0.55
HPGD P15428 6/20 0.55
HSD17B10 Q99714 5/20 0.55
KDM4E B2RXH2 5/20 0.55
CYP3A4 P08684 1/20 0.55
RECQL P46063 1/20 0.55
SHBG P04278 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
GAA P10253 2/20 0.54
USP2 O75604 1/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 1/20 0.54
ALDH1A1 P00352 5/20 0.51
HTT P42858 5/20 0.51
MAPK1 P28482 4/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL9417792 0.88 RXRA (0.54) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL9417853 0.87 SHBG (0.47) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL29054771 0.85 GAA (0.53) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL30544801 0.85 GAA (0.53) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL9417833 0.83 ALDH1A1 (0.64) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL295850 0.83 KMT2A (0.68) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL10031634 0.83 MAPT (0.73) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL27993896 0.83 MAPT (0.64) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL7042702 0.82 MAPT (0.55) LMNAMAPTHPGDHSD17B10KDM4E
SCHEMBL170272 0.81 LMNA (0.66) LMNAMAPTHPGDHSD17B10KDM4E

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