SCHEMBL8387679

SCHEMBL8387679

CCCCCCCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(O)c(O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 15/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.63
EPHX2 P34913 4/20 0.57
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 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
SCHEMBL8627416 0.86 ALOX12 (0.50) EPHX1ALDH1A1HTT
SCHEMBL8622064 0.86 ALOX12 (0.50) EPHX1ALDH1A1HTT
SCHEMBL8756853 0.86 EPHX2 (0.63) EPHX1ALDH1A1HTTEPHX2HDAC1
SCHEMBL4358445 0.86 EPHX1 (0.57) EPHX1ALDH1A1HTTEPHX2HDAC1
SCHEMBL8624316 0.86 ALOX12 (0.50) EPHX1ALDH1A1HTT
SCHEMBL8622678 0.85 TRPV1 (0.51) EPHX1ALDH1A1HTT
SCHEMBL8624167 0.85 TRPV1 (0.51) EPHX1ALDH1A1HTT
SCHEMBL8624295 0.85 TRPV1 (0.51) EPHX1ALDH1A1HTT
SCHEMBL8603314 0.85 EPHX1 (0.60) EPHX1ALDH1A1HTTEPHX2HDAC1
SCHEMBL8391695 0.85 EPHX1 (0.67) EPHX1ALDH1A1HTTEPHX2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004899-A SURFACE TREATED WITH SILANE, TITANATE, AND/OR ALUMINUM COUPLING AGENT; PIGMENT; ERASIBILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1999-12-21 US disclosed
EP-0574879-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1997-05-02 EP disclosed
US-5395815-A Phenolic compound electron acceptor; images; contrast; stability MITSUBISHI PAPER MILLS LIMITED (JP) 1995-03-07 US disclosed
EP-0574879-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1993-12-22 EP disclosed