SCHEMBL29220143

SCHEMBL29220143

CCC=CCC(C(=O)OCC(C)C)C(C)C(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
FFAR1 O14842 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31

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
SCHEMBL29220147 0.90 GRIK1 (0.38) TSHRGRIK1GRIK2NR1I2PGR
SCHEMBL29220395 0.86 NR1I2 (0.38) TSHRGRIK1GRIK2NR1I2PGR
SCHEMBL27737135 0.84 TSHR (0.40) TSHRGRIK1GRIK2ALDH1A1PPARG
SCHEMBL29220259 0.83 HCAR2 (0.34) GRIK1GRIK2ALDH1A1
SCHEMBL29220253 0.80 ATM (0.42) TSHRGRIK1GRIK2ALDH1A1SMN1; SMN2
SCHEMBL29220392 0.79 NAAA (0.40) TSHRALDH1A1CYP3A4
SCHEMBL29220139 0.79 GRIK1 (0.35) TSHRGRIK1GRIK2NR1I2PGR
SCHEMBL29220229 0.77 GRIK1 (0.34) TSHRGRIK1GRIK2NR1I2PGR
SCHEMBL20381856 0.76 ADORA3 (0.42) TSHRNR1I2PGRADORA3PTGS2
SCHEMBL27736981 0.75 TSHR (0.38) TSHRGRIK1GRIK2ALDH1A1PPARG

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 4 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-118108888-A Organic polymer carrier, Z-N catalyst, 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
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed