SCHEMBL31276005

SCHEMBL31276005

CC1=C(C)C2(C)CCC1(C)C(C(=O)OCC(C)C)C2C(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
ADORA2B P29275 4/20 0.32
ADORA1 P30542 1/20 0.32
MCL1 Q07820 1/20 0.32
ALOX12 P18054 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
SCHEMBL31275317 0.76 TSHR (0.40) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL7641129 0.73 TSHR (0.39) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL2127995 0.72 TSHR (0.36) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL31296908 0.70 ALDH1A1 (0.42) TSHRRAB9AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL11049336 0.70 HSP90AA1 (0.39) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL293438 0.69 TSHR (0.39) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL13517174 0.69 HSP90AA1 (0.37) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL10886647 0.69 HSP90AA1 (0.36) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL28829326 0.68 TSHR (0.39) TSHRRAB9ALMNAHSP90AA1HSP90AB1
SCHEMBL11045118 0.68 RAB9A (0.34) TSHRRAB9ALMNAHSP90AA1HSP90AB1

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-119161511-A Solid catalyst for olefin polymerization 中国科学院大连化学物理研究所 2024-12-20 CN disclosed