SCHEMBL9821730

SCHEMBL9821730

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.35
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KMT2A Q03164 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
SCHEMBL9821722 0.82 LTB4R (0.35) AKT1LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9821761 0.80 AKT1 (0.38) AKT1LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL10504909 0.80 ESR1 (0.34) AKT1KDM4EALDH1A1GAAESR1
SCHEMBL9511722 0.78 LTB4R (0.35) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL9821719 0.77 AKT1 (0.39) AKT1LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL10371731 0.77 AKT1 (0.39) AKT1LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9485831 0.77 ALDH1A1 (0.36) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL10818881 0.76 ESR1 (0.34) AKT1LTB4RLTB4R2ESR1ESR2
SCHEMBL10368416 0.76 LTB4R (0.41) AKT1LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL10368286 0.75 LTB4R (0.33) LTB4RLTB4R2ESR1ESR2

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