SCHEMBL622787

SCHEMBL622787

COC(=O)C(C)C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CA14 Q9ULX7 3/20 0.39
CA12 O43570 3/20 0.37
HCAR2 Q8TDS4 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 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
SCHEMBL4585366 0.89 TSHR (0.53) TSHRSMN1; SMN2CA14CA12HCAR2
SCHEMBL275280 0.86 SMN1; SMN2 (0.52) TSHRSMN1; SMN2CA14CA12HCAR2
SCHEMBL26658220 0.83 SMN1; SMN2 (0.50) TSHRSMN1; SMN2CA14CA12HCAR2
SCHEMBL10805452 0.83 SMN1; SMN2 (0.50) TSHRSMN1; SMN2CA14CA12HCAR2
SCHEMBL12413027 0.80 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL27926631 0.80 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL27926630 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12CA9ALDH1A1
SCHEMBL7631894 0.79 TSHR (0.43) TSHRSMN1; SMN2CA14CA12HCAR2
SCHEMBL11941667 0.79 TSHR (0.43) TSHRSMN1; SMN2CA14CA12HCAR2
SCHEMBL4440882 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700654-A Copolyester for weather-resistant coating and preparation method and application thereof 中瀚新材料科技有限公司 2024-03-15 CN claimed
CN-115449900-B Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2023-11-21 CN claimed
CN-115449900-A Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2022-12-09 CN claimed
WO-2012021446-A2 PROCESS FOR PREPARING ALISKIREN AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-16 WO claimed
CN-117700654-A Copolyester for weather-resistant coating and preparation method and application thereof 中瀚新材料科技有限公司 2024-03-15 CN disclosed
CN-115449900-B Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2023-11-21 CN disclosed
CN-115449900-A Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2022-12-09 CN disclosed
WO-2012021446-A2 PROCESS FOR PREPARING ALISKIREN AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-16 WO disclosed