SCHEMBL7552162

SCHEMBL7552162

C=CC1CC(c2ccccc2)OC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
BCHE P06276 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
GSK3B P49841 1/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.36
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL7549855 0.84 TSHR (0.42) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL7550617 0.81 EPHX1 (0.43) EPHX1KMT2ANPC1RAB9AMAPT
SCHEMBL7547948 0.79 SLC6A3 (0.36) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL14173019 0.75 EPHX1 (0.46) EPHX1KMT2ANPC1RAB9AMAPT
SCHEMBL5010892 0.75 EPHX1 (0.46) EPHX1KMT2ANPC1RAB9AMAPT
SCHEMBL5010893 0.75 EPHX1 (0.46) EPHX1KMT2ANPC1RAB9AMAPT
SCHEMBL2934676 0.75 ALDH1A1 (0.58) EPHX1KMT2ANPC1RAB9AMAPT
SCHEMBL2934674 0.75 ALDH1A1 (0.58) EPHX1KMT2ANPC1RAB9AMAPT
SCHEMBL2934678 0.75 ALDH1A1 (0.58) EPHX1KMT2ANPC1RAB9AMAPT
SCHEMBL5011510 0.74 CES2 (0.46) EPHX1KMT2ANPC1RAB9AMAPT

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
WO-2002051883-A1 SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS AVENTIS PHARMA S.A. (FR) 2002-07-04 WO claimed
WO-2002051883-A1 SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS AVENTIS PHARMA S.A. (FR) 2002-07-04 WO disclosed