SCHEMBL9821719

SCHEMBL9821719

CCCc1c(O)ccc2c1OC(C)(CC(C)C(=O)O)CC2=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.39
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
SLC22A12 Q96S37 5/20 0.33
ALOX5 P09917 2/20 0.33
NR1I2 O75469 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PSMB5 P28074 1/20 0.30

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
SCHEMBL10368416 0.83 LTB4R (0.41) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL10818881 0.81 ESR1 (0.34) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL9821722 0.80 LTB4R (0.35) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL10408545 0.80 AKT1 (0.39) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL10408574 0.79 ESR1 (0.35) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL10407941 0.79 ESR1 (0.35) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL10408575 0.79 ESR1 (0.35) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL10508016 0.78 AKT1 (0.39) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL9821761 0.78 AKT1 (0.38) AKT1LTB4RLTB4R2SLC22A12ESR1
SCHEMBL9821711 0.77 SLC22A12 (0.35) AKT1LTB4RLTB4R2SLC22A12ESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 EP disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US disclosed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 EP disclosed