SCHEMBL8222969

SCHEMBL8222969

CCCCCNCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.42
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.40
ACHE P22303 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 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
SCHEMBL817981 0.98 MEN1 (0.61) TSHRMEN1KMT2ATHRBHTT
SCHEMBL14010914 0.98 MEN1 (0.61) TSHRMEN1KMT2ATHRBHTT
SCHEMBL8113758 0.98 MEN1 (0.61) TSHRMEN1KMT2ATHRBHTT
SCHEMBL8101050 0.98 MEN1 (0.61) TSHRMEN1KMT2ATHRBHTT
SCHEMBL8101026 0.98 MEN1 (0.61) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11344130 0.96 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11350056 0.96 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11347984 0.96 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT
SCHEMBL8219819 0.96 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT
SCHEMBL13538736 0.96 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563215-A Polymer connexon and application thereof 诺瓦塞特股份有限公司 2019-04-02 CN disclosed
WO-2008023050-A1 ACYLATED EXENDIN-4 COMPOUNDS NOVO NORDISK A/S (DK) 2008-02-28 WO disclosed