SCHEMBL3484087

SCHEMBL3484087

CCOC(=O)Cc1cccc(OCOc2ccc(Br)cc2CN2CCOC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
FAAH O00519 1/20 0.39
PTGER1 P34995 10/20 0.38
CCR5 P51681 1/20 0.38
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL1644659 0.91 FAAH (0.45) NAAAFAAHCCR5KDM4EALDH1A1
SCHEMBL1643063 0.83 FAAH (0.47) NAAAFAAHALDH1A1MEN1KMT2A
SCHEMBL1643021 0.82 FAAH (0.46) NAAAFAAHKDM4EALDH1A1MEN1
SCHEMBL1644718 0.81 FAAH (0.46) NAAAFAAHALDH1A1MEN1KMT2A
SCHEMBL1644793 0.81 CCR5 (0.42) PTGER1CCR5KDM4EALDH1A1MEN1
SCHEMBL13760930 0.80 FAAH (0.45) NAAAFAAHKDM4EALDH1A1MEN1
SCHEMBL1643553 0.80 ALDH1A1 (0.42) CCR5KDM4EALDH1A1MEN1KMT2A
SCHEMBL1643771 0.80 FAAH (0.50) NAAAFAAHALDH1A1MEN1KMT2A
SCHEMBL1643520 0.79 FAAH (0.51) NAAAFAAHKDM4EALDH1A1MEN1
SCHEMBL1010847 0.76 ALDH1A1 (0.47) CCR5KDM4EALDH1A1MEN1KMT2A

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