SCHEMBL28067202

SCHEMBL28067202

O=C(OCCCCO)c1ccccc1O

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.80
TSHR P16473 5/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
SERPINE1 P05121 1/20 0.46

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
SCHEMBL12189726 0.98 TDP1 (0.77) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL2138083 0.98 TDP1 (0.77) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL29637124 0.95 TDP1 (0.83) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL12083353 0.95 TDP1 (0.83) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL9765812 0.93 TDP1 (0.92) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL29408707 0.91 TDP1 (0.89) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL15397549 0.91 TDP1 (0.89) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL12083356 0.89 TDP1 (1.00) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL1308818 0.89 TSHR (0.70) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL31657765 0.89 TSHR (0.70) TDP1TSHRTP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107720983-A A kind of nano composite material preparation method of demineralized water 新沂博瑞工业设计有限公司 2018-02-23 CN claimed
CN-105727892-A Compound type water purifying material and preparation method thereof 苏州圣谱拉新材料科技有限公司 2016-07-06 CN claimed
CN-114432159-A Biological ceramic material and preparation for dental treatment 朗力生物医药(武汉)有限公司 2022-05-06 CN disclosed
CN-107899761-A A kind of Multifunctional water purification filters shower 新沂博瑞工业设计有限公司 2018-04-13 CN disclosed
CN-107830239-A A kind of clear water faucet of easy to clean 新沂博瑞工业设计有限公司 2018-03-23 CN disclosed
CN-107720983-A A kind of nano composite material preparation method of demineralized water 新沂博瑞工业设计有限公司 2018-02-23 CN disclosed
CN-107720983-A A kind of nano composite material preparation method of demineralized water 新沂博瑞工业设计有限公司 2018-02-23 CN disclosed
CN-105727892-A Compound type water purifying material and preparation method thereof 苏州圣谱拉新材料科技有限公司 2016-07-06 CN disclosed
CN-105727892-A Compound type water purifying material and preparation method thereof 苏州圣谱拉新材料科技有限公司 2016-07-06 CN disclosed