SCHEMBL8623830

SCHEMBL8623830

NC(=O)CCSc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
KCNH2 Q12809 1/20 0.56
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
CA2 P00918 3/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 5/20 0.40
NR1H2 P55055 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9840272 0.83 HSP90AA1 (0.59) HSP90AA1KCNH2PKMHTTCA2
SCHEMBL989865 0.82 HSP90AA1 (0.57) HSP90AA1KCNH2CA2NPC1RAB9A
SCHEMBL953807 0.82 CYP1A2 (0.65) PKMHTTNPC1RAB9ACYP1A2
SCHEMBL4509079 0.80 HSP90AA1 (0.56) HSP90AA1KCNH2CA2NPC1RAB9A
SCHEMBL8746034 0.79 SMN1; SMN2 (0.68) HSP90AA1KCNH2CA2CYP3A4KMT2A
SCHEMBL7016205 0.78 LMNA (0.47) PKMHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11034897 0.78 HSP90AA1 (0.54) HSP90AA1KCNH2PKMHTTCA2
SCHEMBL10407904 0.78 NR1H2 (0.55) HSP90AA1KCNH2CA2NPC1RAB9A
SCHEMBL28634217 0.77 CA2 (0.46) HSP90AA1KCNH2PKMHTTCA2
SCHEMBL28795059 0.77 HSP90AA1 (0.53) HSP90AA1KCNH2CA2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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