SCHEMBL29220147

SCHEMBL29220147

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
CYP19A1 P11511 2/20 0.33
RXRA P19793 2/20 0.33
PPARG P37231 2/20 0.33
OXER1 Q8TDS5 2/20 0.33
FFAR1 O14842 1/20 0.33
FPR2 P25090 1/20 0.31
PTGS1 P23219 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
KMT2A Q03164 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
SCHEMBL29220143 0.90 TSHR (0.39) GRIK1GRIK2TSHRALDH1A1MAPT
SCHEMBL27736981 0.85 TSHR (0.38) GRIK1GRIK2TSHRALDH1A1PPARG
SCHEMBL4789138 0.85 GRIK1 (0.41) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL29220261 0.84 GRIK1 (0.38) GRIK1GRIK2ALDH1A1MAPTFPR2
SCHEMBL29220142 0.83 GRIK1 (0.40) GRIK1GRIK2TSHRALDH1A1MAPT
SCHEMBL29220235 0.82 GRIK1 (0.39) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL29220257 0.81 ATM (0.40) GRIK1GRIK2TSHRALDH1A1MAPT
SCHEMBL4736244 0.81 GRIK1 (0.46) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL4736243 0.81 GRIK1 (0.46) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL29220396 0.80 HCAR2 (0.41) GRIK1GRIK2TSHR

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