SCHEMBL3485703

SCHEMBL3485703

O=Cc1cc(Br)ccc1Oc1c[c]ccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ERN1 O75460 2/20 0.39
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
TTR P02766 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 2/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
CYP3A4 P08684 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
SCHEMBL2075254 0.82 LMNA (0.62) PTGDR2LMNAGAAKMT2AERN1
SCHEMBL2753212 0.80 MAPK1 (0.55) LMNAKMT2AALDH1A1SLC6A4HTR6
SCHEMBL3484746 0.80 L3MBTL1 (0.39) LMNAGAAKMT2ANPSR1ALDH1A1
SCHEMBL2753829 0.77 MAPK1 (0.37) LMNAKMT2AALDH1A1SLC6A4HTR6
SCHEMBL12438312 0.75 MAOB (0.45) PTGDR2LMNAGAAKMT2AERN1
SCHEMBL21371124 0.75 NPSR1 (0.51) PTGDR2LMNAGAAKMT2AERN1
SCHEMBL276480 0.75 EPAS1 (0.49) PTGDR2LMNAGAAKMT2AERN1
SCHEMBL3484951 0.74 PTGDR2 (0.44) PTGDR2LMNAKMT2AALDH1A1SLC6A4
SCHEMBL19865453 0.73 EPAS1 (0.49) PTGDR2LMNAGAAKMT2AERN1
SCHEMBL274863 0.73 PTGDR2 (0.48) PTGDR2LMNAGAAKMT2AERN1

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-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed