SCHEMBL28488448

SCHEMBL28488448

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGD P52209 2/20 0.36
BHMT Q93088 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 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
SCHEMBL26811369 0.82 MAPK1 (0.48) PGDBHMTTDP1FFAR1GPR84
SCHEMBL10417537 0.82 MAPK1 (0.48) PGDBHMTTDP1FFAR1GPR84
SCHEMBL15833443 0.81 PGD (0.34) PGDBHMTTDP1SMN1; SMN2ITGB3
SCHEMBL11403500 0.75 TSHR (0.37) TDP1
SCHEMBL598223 0.74 ALDH1A1 (0.38) TDP1
SCHEMBL28013433 0.72 BHMT (0.32) BHMTFFAR1
SCHEMBL6446870 0.71 ALDH1A1 (0.35) TDP1
SCHEMBL16755874 0.71 FFAR1 (0.36) PGDBHMTTDP1FFAR1GPR84
SCHEMBL2515522 0.71 ALDH1A1 (0.35) TDP1
SCHEMBL15765536 0.71 ALDH1A1 (0.36) TDP1

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-111777477-B Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2021-09-14 CN disclosed
CN-111777477-A Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2020-10-16 CN disclosed