SCHEMBL10368286

SCHEMBL10368286

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
SLC22A12 Q96S37 1/20 0.32
BACE1 P56817 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PTPN1 P18031 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
SCHEMBL9511722 0.87 LTB4R (0.35) LTB4RLTB4R2SLC22A12BACE1ESR1
SCHEMBL9821761 0.86 AKT1 (0.38) LTB4RLTB4R2SLC22A12BACE1ESR1
SCHEMBL10370656 0.81 PPARG (0.52) LTB4RLTB4R2
SCHEMBL10370648 0.81 LTB4R (0.39) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL9485831 0.79 ALDH1A1 (0.36) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL9511770 0.79 ALDH1A1 (0.35) LTB4RLTB4R2
SCHEMBL10371731 0.77 AKT1 (0.39) LTB4RLTB4R2SLC22A12
SCHEMBL9821730 0.75 AKT1 (0.35) LTB4RLTB4R2ESR1ESR2
SCHEMBL10368416 0.74 LTB4R (0.41) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL10408545 0.73 AKT1 (0.39) LTB4RLTB4R2SLC22A12ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254329-B1 SUBSTITUTED DIHYDROBENZOPYRANONES G.D. Searle & Co. (US) 1990-09-26 EP disclosed
US-4952705-A Substituted dihydrobenzopyrans G. D. SEARLE & CO. (US) 1990-08-28 US disclosed
US-4888356-A Use of substituted dihydrobenzopyrans for allergy and inflammation G. D. SEARLE AND COMPANY (US) 1989-12-19 US disclosed
US-4778903-A Substituted dihydrobenzopyrans G. D. SEARLE & CO. (US) 1988-10-18 US disclosed
EP-0254329-A1 Substituted dihydrobenzopyranones G.D. Searle & Co. (US) 1988-01-27 EP disclosed
US-4665203-A Substituted dihydrobenzopyrans useful as leukotriene D4 inhibitors G. D. SEARLE & CO. (US) 1987-05-12 US disclosed
EP-0139809-A1 Substituted dihydrobenzopyrans G.D. Searle & Co. (US) 1985-05-08 EP disclosed