SCHEMBL28409265

SCHEMBL28409265

CCC(CC)OC(=O)C1(C)CCCCC1(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR3 O14843 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL28408012 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28923641 0.81 TSHR (0.33) ALDH1A1
SCHEMBL30142942 0.79 APOBEC3A (0.36) MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL30142954 0.77 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AFFAR3
SCHEMBL10783276 0.75 FFAR3 (0.39) ALDH1A1NPSR1FFAR3
SCHEMBL28923755 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3670832 0.74 FFAR3 (0.50) ALDH1A1NPSR1FFAR3
SCHEMBL21950902 0.74 FFAR3 (0.50) ALDH1A1NPSR1FFAR3
SCHEMBL21950905 0.74 FFAR3 (0.50) ALDH1A1NPSR1FFAR3
SCHEMBL28409263 0.70 APOBEC3A (0.36) APOBEC3AAPOBEC3G

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-111171195-B Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔能源有限公司 2022-12-27 CN disclosed
CN-111171195-A Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔有限公司 2020-05-19 CN disclosed