SCHEMBL22238280

SCHEMBL22238280

COCCOC(=O)C(CC(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TAS1R3 Q7RTX0 3/20 0.32
▸ TAS1R1 Q7RTX1 3/20 0.32
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ RNPEP Q9H4A4 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ SLC7A5 Q01650 1/20 0.30
▸ MME P08473 1/20 0.30
▸ CAPN1 P07384 1/20 0.30

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
SCHEMBL18560732 0.92 SLC1A3 (0.35) TSHRCA12CA1CA2CA9
SCHEMBL16160142 0.82 TSHR (0.37) TSHRCA12CA1CA2CA9
SCHEMBL18560734 0.82 TSHR (0.34) TSHRSLC1A3SLC1A2SLC1A1ADAM17
SCHEMBL22115801 0.79 TSHR (0.38) TSHRCA12CA1CA2CA9
SCHEMBL12868880 0.79 SMN1; SMN2 (0.44) CA12CA9TAS1R3TAS1R1SLC1A3
SCHEMBL17852291 0.79 SLC1A3 (0.35) TSHRSLC1A3SLC1A2SLC1A1ADAM17
SCHEMBL5514853 0.79 SMN1; SMN2 (0.44) CA12CA9TAS1R3TAS1R1SLC1A3
SCHEMBL9911582 0.79 SMN1; SMN2 (0.44) CA12CA9TAS1R3TAS1R1SLC1A3
SCHEMBL16542382 0.78 ALDH1A1 (0.47) TSHRCA12CA1CA2CA9
SCHEMBL13946436 0.77 TSHR (0.34) TSHRCA12CA1CA2CA9

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
EP-2955576-B1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-07-22 — — EP disclosed
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