SCHEMBL976078

SCHEMBL976078

CCCCOC(=O)c1ccccc1OCCCC.[Zr]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.75
L3MBTL1 Q9Y468 3/20 0.75
TDP1 Q9NUW8 3/20 0.75
CYP3A4 P08684 3/20 0.68
MAPK1 P28482 3/20 0.68
TP53 P04637 1/20 0.68
ALDH1A1 P00352 8/20 0.66
LMNA P02545 3/20 0.66
HSD17B10 Q99714 2/20 0.65
MAPT P10636 3/20 0.59
MEN1 O00255 1/20 0.59
NR1I2 O75469 1/20 0.59
CHRM2 P08172 1/20 0.59
ADRA2A P08913 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KMT2A Q03164 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 2/20 0.57

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
SCHEMBL975212 0.98 TSHR (0.77) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL974445 0.97 TSHR (0.75) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL975209 0.97 TSHR (0.75) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL27898194 0.95 TSHR (0.76) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL11427520 0.95 TSHR (0.73) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL34473960 0.94 ALDH1A1 (0.77) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL11316561 0.94 ALDH1A1 (0.77) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL215738 0.94 ALDH1A1 (0.77) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL305676 0.94 ALDH1A1 (0.77) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL30173476 0.94 TSHR (0.78) TSHRL3MBTL1TDP1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865387-B2 Electrostatic image developing toner PARK & OPC CO., LTD (KR) 2014-10-21 US claimed
CN-102576201-B Toner for developing electrostatic image and process for producing the same PARK & OPC CO LTD 2014-01-15 CN claimed
CN-101971104-B Toner for developing electrostatic image PARK & OPC CO LTD 2012-12-12 CN claimed
EP-2490074-A2 ELECTROSTATIC IMAGE-DEVELOPING TONER Park&Opc Co., Ltd. (KR) 2012-08-22 EP claimed
CN-102576201-A Toner for developing electrostatic image PARK & OPC CO LTD 2012-07-11 CN claimed
CN-101971104-A Toner for developing electrostatic image PARK & OPC CO LTD 2011-02-09 CN claimed
US-20110020745-A1 Electrostatic Image Developing Toner PARK & OPC CO., LTD (KR) 2011-01-27 US claimed