SCHEMBL9821722

SCHEMBL9821722

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.35
LTB4R2 Q9NPC1 9/20 0.35
SLC22A12 Q96S37 4/20 0.34
AKT1 P31749 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9821730 0.82 AKT1 (0.35) LTB4RLTB4R2AKT1KDM4EALDH1A1
SCHEMBL10504909 0.80 ESR1 (0.34) SLC22A12AKT1KDM4EALDH1A1ESR1
SCHEMBL9821719 0.80 AKT1 (0.39) LTB4RLTB4R2SLC22A12AKT1KDM4E
SCHEMBL10368416 0.79 LTB4R (0.41) LTB4RLTB4R2SLC22A12AKT1KDM4E
SCHEMBL10818881 0.77 ESR1 (0.34) LTB4RLTB4R2SLC22A12AKT1ESR1
SCHEMBL9821711 0.76 SLC22A12 (0.35) LTB4RLTB4R2SLC22A12AKT1KDM4E
SCHEMBL10370648 0.75 LTB4R (0.39) LTB4RLTB4R2SLC22A12ALDH1A1ESR1
SCHEMBL10408575 0.75 ESR1 (0.35) LTB4RLTB4R2SLC22A12AKT1KDM4E
SCHEMBL10407941 0.75 ESR1 (0.35) LTB4RLTB4R2SLC22A12AKT1KDM4E
SCHEMBL10408574 0.75 ESR1 (0.35) LTB4RLTB4R2SLC22A12AKT1KDM4E

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