SCHEMBL28378759

SCHEMBL28378759

C=C(C(=O)OCCCCCCCC)C1CO1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
NAAA Q02083 3/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GBA2 Q9HCG7 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
FAAH O00519 1/20 0.38

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
Methacrylic Acid SCHEMBL2380710 0.86 TSHR (0.49) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL17965920 0.83 TSHR (0.38) TSHRHTTALDH1A1TDP1GBA2
SCHEMBL14913823 0.80 TSHR (0.61) TSHRNAAAGAAMAPK1HTT
SCHEMBL2496758 0.80 NAAA (0.50) TSHRNAAAGAAMAPK1HTT
SCHEMBL2500887 0.80 NAAA (0.50) TSHRNAAAGAAMAPK1HTT
SCHEMBL27157059 0.80 NAAA (0.50) TSHRNAAAGAAMAPK1HTT
SCHEMBL2504968 0.80 NAAA (0.50) TSHRNAAAGAAMAPK1HTT
SCHEMBL8164076 0.80 NAAA (0.50) TSHRNAAAGAAMAPK1HTT
SCHEMBL3277815 0.80 NAAA (0.50) TSHRNAAAGAAMAPK1HTT
SCHEMBL339014 0.80 NAAA (0.50) TSHRNAAAGAAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406666-B Thermally decomposable binder 国立大学法人东京农工大学 2020-02-21 CN disclosed