SCHEMBL7198019

SCHEMBL7198019

CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.63
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
EPHX2 P34913 1/20 0.54
GHSR Q92847 1/20 0.53
ADRB2 P07550 3/20 0.52
ADRB1 P08588 3/20 0.52
ADRB3 P13945 3/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
GPR65 Q8IYL9 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL7197441 1.00 EPHX1 (0.63) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7269043 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL1831018 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7264190 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL13804536 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7270458 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL13804544 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL13804547 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL8756663 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL13804540 0.92 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596669-B1 Comprising a support and two reversible heat-sensitive recording layers having different colors formed on the same side of the support, comprising colorless electron-donative dye precursor and an electron-accepting compound MITSUBISHI PAPER MILLS LIMITED (JP) 2003-07-22 US disclosed