SCHEMBL27909475

SCHEMBL27909475

CCCOB(O)OCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL28111288 0.89 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28263543 0.89 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28263539 0.89 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28425705 0.88 TSHR (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28516981 0.88 TSHR (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL17333209 0.86 HSD17B10 (0.37) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL28459095 0.81 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL486810 0.81 HSD17B10 (0.32)
SCHEMBL28827274 0.80 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28085714 0.80 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104263886-A Quenching liquid composition and application thereof CHINA PETROLEUM & CHEMICAL 2015-01-07 CN disclosed
CN-102942690-B Polyoxy propane diethylene glycol borate polymer, preparation method thereof and environment-friendly water-soluble anti-rust quenching liquid prepared with polymer SHANGHAI JINZHAO ENERGY SAVING TECHNOLOGY CO LTD 2014-05-14 CN disclosed
CN-102942690-B Polyoxy propane diethylene glycol borate polymer, preparation method thereof and environment-friendly water-soluble anti-rust quenching liquid prepared with polymer SHANGHAI JINZHAO ENERGY SAVING TECHNOLOGY CO LTD 2014-05-14 CN disclosed
CN-102942690-A Polyoxy propane diethylene glycol borate polymer, preparation method thereof and environment-friendly water-soluble anti-rust quenching liquid prepared with the polymer SHANGHAI JINZHAO ENERGY SAVING TECHNOLOGY CO LTD 2013-02-27 CN disclosed
CN-102942690-A Polyoxy propane diethylene glycol borate polymer, preparation method thereof and environment-friendly water-soluble anti-rust quenching liquid prepared with the polymer SHANGHAI JINZHAO ENERGY SAVING TECHNOLOGY CO LTD 2013-02-27 CN disclosed