SCHEMBL8617352

SCHEMBL8617352

CCCCOCCSc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
NR5A1 Q13285 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 2/20 0.48
PTGS2 P35354 2/20 0.48
ESR1 P03372 5/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.41
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 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
SCHEMBL25738389 0.89 CYP1A2 (0.43) LTA4HNR5A1CYP1A2CYP2D6CYP2C19
SCHEMBL51052 0.87 NR1H2 (0.46) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL9147326 0.85 LMNA (0.46) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL1727399 0.85 HSP90AA1 (0.47) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
Hydroquinone SCHEMBL700283 0.84 LTA4H (0.63) LTA4HNR5A1CYP1A2CYP2D6CYP2C19
SCHEMBL7756021 0.84 HSP90AA1 (0.41) LTA4HNR5A1CYP1A2CYP2D6CYP2C19
SCHEMBL1835507 0.83 LMNA (0.41) LTA4HNR5A1CYP1A2CYP2D6CYP2C19
SCHEMBL4399477 0.83 MAOA (0.53) LTA4HNR5A1CYP1A2CYP2D6CYP2C19
SCHEMBL2070115 0.81 LMNA (0.53) LTA4HNR5A1CYP3A4PTGS2ESR1
SCHEMBL11033935 0.80 LMNA (0.42) CYP1A2CYP2D6CYP2C19CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5116462-A None JP disclosed
CN-100400307-C Heat-sensitive recording material JUJO PAPER CO LTD (JP) 2008-07-09 CN disclosed
CN-1798661-A Heat-sensitive recording material JUJO PAPER CO LTD (JP) 2006-07-05 CN disclosed
EP-0561558-B1 Thermal recording sheet JUJO PAPER CO LTD (JP) 1998-05-13 EP disclosed
EP-0788889-A2 A thermal sensitive recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1997-08-13 EP disclosed
EP-0559386-B1 Thermal recording sheet JUJO PAPER CO LTD (JP) 1997-01-15 EP disclosed
US-5352650-A Heat/oil/weather and water resistance, storage stability, photosensitivity; used in computer terminal printers, facsimiles, automatic ticket vendors, bar-code labels, and measurement recorders JUJO PAPER CO., LTD. (JP) 1994-10-04 US disclosed
US-5322831-A Color developers, chromogenic dye, stabilizer and sensitizer JUJO PAPER CO., LTD. (JP) 1994-06-21 US disclosed
EP-0421278-B1 Heat-sensitive recording sheet JUJO PAPER CO LTD (JP) 1994-06-01 EP disclosed
EP-0561558-A2 Thermal recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-09-22 EP disclosed
EP-0559386-A2 Thermal recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-09-08 EP disclosed
JP-H05116462-A THERMAL RECORDING MATERIAL RICOH CO LTD 1993-05-14 JP disclosed
EP-0421278-A2 Heat-sensitive recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1991-04-10 EP disclosed