SCHEMBL10370648

SCHEMBL10370648

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.39
LTB4R2 Q9NPC1 12/20 0.39
SLC22A12 Q96S37 5/20 0.38
PTGS2 P35354 1/20 0.37
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
HSPA8 P11142 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
BRCA1 P38398 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 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
SCHEMBL10368416 0.86 LTB4R (0.41) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL10368286 0.81 LTB4R (0.33) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL10372524 0.79 CYSLTR2 (0.55) LTB4RLTB4R2
SCHEMBL10408545 0.76 AKT1 (0.39) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL9821874 0.76 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL9511722 0.76 LTB4R (0.35) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL9821761 0.75 AKT1 (0.38) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL9821722 0.75 LTB4R (0.35) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL9821711 0.74 SLC22A12 (0.35) LTB4RLTB4R2SLC22A12ESR1ESR2
SCHEMBL9821719 0.74 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