SCHEMBL6002645

SCHEMBL6002645

[CH2]Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
LTA4H P09960 1/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP14 P50281 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NR3C1 P04150 1/20 0.40
CETP P11597 1/20 0.40
DAO P14920 1/20 0.40
NLRP3 Q96P20 1/20 0.39
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL1047224 0.94 ALDH1A1 (0.47) EPHX2ALDH1A1TSHRMAPTSLC6A4
SCHEMBL5539563 0.88 KIF11 (0.45) EPHX2ALDH1A1TSHRMAPTSLC6A4
SCHEMBL5534616 0.85 EPHX2 (0.49) EPHX2LTA4HFAAHALDH1A1TSHR
SCHEMBL28780452 0.82 EPHX2 (0.50) EPHX2LTA4HFAAHALDH1A1TSHR
SCHEMBL5535120 0.82 EPHX2 (0.47) EPHX2LTA4HFAAHALDH1A1TSHR
SCHEMBL2056132 0.82 TSHR (0.53) EPHX2LTA4HFAAHALDH1A1TSHR
SCHEMBL2096267 0.81 EPHX2 (0.44) EPHX2LTA4HFAAHMAPTMMP2
SCHEMBL5534895 0.80 MAPK14 (0.48) EPHX2LTA4H
SCHEMBL1747062 0.80 LTA4H (0.59) EPHX2LTA4HFAAHALDH1A1TSHR
SCHEMBL922517 0.80 ST14 (0.61) EPHX2LTA4HALDH1A1TSHRMMP2

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed