SCHEMBL28587737

SCHEMBL28587737

CCCCCC[Sn](CCCCCC)(OCCC)OCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 2/20 0.40
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
LPAR3 Q9UBY5 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA9 Q16790 5/20 0.32
LPAR2 Q9HBW0 4/20 0.32
LPAR1 Q92633 2/20 0.32
NAAA Q02083 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL2324998 1.00 TSHR (0.40) TSHRTHRBHTTUSP2MEN1
SCHEMBL4270821 0.91 TSHR (0.36) TSHRTHRBHTTUSP2MEN1
SCHEMBL4267231 0.90 THRB (0.40) TSHRTHRBHTTMEN1KMT2A
SCHEMBL7541213 0.90 THRB (0.40) TSHRTHRBHTTMEN1KMT2A
SCHEMBL4267266 0.90 THRB (0.40) TSHRTHRBHTTMEN1KMT2A
SCHEMBL4265284 0.90 THRB (0.40) TSHRTHRBHTTMEN1KMT2A
SCHEMBL2327782 0.90 THRB (0.40) TSHRTHRBHTTMEN1KMT2A
SCHEMBL2328803 0.90 ADRB2 (0.33) TSHRTHRB
SCHEMBL4268860 0.85 THRB (0.40) TSHRTHRBHTTMEN1KMT2A
SCHEMBL4268801 0.85 THRB (0.40) TSHRTHRBHTTMEN1KMT2A

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-113025046-A High-temperature-resistant phenyl silicone rubber film material and preparation method thereof 山东特龙谱新材料有限公司 2021-06-25 CN claimed