SCHEMBL9417898

SCHEMBL9417898

CCc1cc(C(=O)c2ccccc2C(=O)O)c(O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 5/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
CYP3A4 P08684 3/20 0.54
HSD17B10 Q99714 2/20 0.54
RECQL P46063 1/20 0.54
CDC25B P30305 2/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
ALOX15 P16050 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL10031634 0.86 MAPT (0.73) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL31336022 0.85 HMGCR (0.54) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL9417833 0.84 ALDH1A1 (0.64) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL28771416 0.80 MAPT (0.68) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL9417940 0.79 LTB4R (0.51) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL2229650 0.78 HPGD (0.59) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL29459452 0.78 MAPT (0.75) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL225487 0.78 MAPT (0.75) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL29372462 0.78 MAPT (0.75) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL20177624 0.77 CDC25B (0.51) ALDH1A1LMNAKDM4EMAPTHPGD

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