SCHEMBL29220140

SCHEMBL29220140

CC(C)OC(=O)/C(=C(\C(=O)OC(C)C)C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ADRA1A P35348 1/20 0.41
PDE4D Q08499 1/20 0.41
HCAR2 Q8TDS4 1/20 0.37
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 6/20 0.33
CA7 P43166 4/20 0.33
CA14 Q9ULX7 4/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL3293160 0.90 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL27844558 0.90 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL27948179 0.87 TSHR (0.48) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL12020274 0.87 TSHR (0.42) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL28027092 0.85 TSHR (0.46) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL3293163 0.85 TSHR (0.46) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL29058646 0.83 ADRA1A (0.39) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL297916 0.81 TSHR (0.59) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL910131 0.79 TSHR (0.50) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL27926059 0.78 TSHR (0.56) TSHRADRA1APDE4DHCAR2GAA

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed