SCHEMBL7140056

SCHEMBL7140056

CC(C)=CCOc1c(Br)cc(Br)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
GAA P10253 3/20 0.35
MGAM O43451 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP1B1 Q16678 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
ABCB1 P08183 1/20 0.33
BACE1 P56817 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL15709517 0.77 PTGDR2 (0.39) PTGDR2ALDH1A1LMNAMAPTHSD17B10
SCHEMBL4613709 0.76 HSD17B10 (0.33) PTGDR2HSD17B10ALOX15ALOX12
SCHEMBL7140730 0.76 PTGDR2 (0.62) PTGDR2ALDH1A1CYP3A4MAPTTP53
SCHEMBL4611743 0.74 PTGDR2 (0.36) PTGDR2GAAMGAMSIMGAM2
SCHEMBL7141326 0.73 PTGDR2 (0.35) PTGDR2ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL1530698 0.71 HSD17B10 (0.47) PTGDR2ALDH1A1CYP3A4LMNAPTGS1
SCHEMBL7140065 0.70 PTGDR2 (0.33) PTGDR2HSD17B10ALOX15ALOX12
SCHEMBL5086413 0.68 LMNA (0.40) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL29605909 0.68 SMN1; SMN2 (0.40) GAAALDH1A1CYP3A4LMNAMAPT
SCHEMBL5086388 0.68 SMN1; SMN2 (0.40) GAAALDH1A1CYP3A4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907646-B1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-05-21 EP disclosed
US-6110960-A FOR TREATING ARTHRITIS AND AS ANALGESIC THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed