SCHEMBL8387458

SCHEMBL8387458

CCCCCCCCCCCCCCCCCCNC(=O)NCCSc1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
TRPV1 Q8NER1 3/20 0.53
EPHX2 P34913 1/20 0.51
EPHX1 P07099 8/20 0.50
APP P05067 1/20 0.48
NAAA Q02083 2/20 0.48
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL8387623 0.87 TRPV1 (0.53) CNR2TRPV1EPHX2APPNAAA
SCHEMBL19462148 0.86 TRPV1 (0.63) CNR2TRPV1HSD17B10MEN1MAPT
SCHEMBL19462322 0.86 TRPV1 (0.63) CNR2TRPV1HSD17B10MEN1MAPT
SCHEMBL8388519 0.85 EPHX1 (0.54) CNR2EPHX2EPHX1NAAAALDH1A1
SCHEMBL8388750 0.85 EPHX1 (0.54) CNR2EPHX2EPHX1NAAAALDH1A1
SCHEMBL19462316 0.83 TRPV1 (0.55) TRPV1HSD17B10MEN1MAPTKMT2A
SCHEMBL9244266 0.80 THRB (0.46) TRPV1APP
SCHEMBL9142817 0.80 THRB (0.46) TRPV1APP
SCHEMBL9400375 0.80 THRB (0.46) TRPV1APP
SCHEMBL8390581 0.80 CNR2 (0.57) CNR2EPHX2EPHX1NAAAALDH1A1

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-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed