SCHEMBL29610080

SCHEMBL29610080

CCOC(=O)[C@H](O)CCc1ccccc1.O=C(O)[C@H](O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP8 P22894 1/20 0.46
PIN1 Q13526 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL614649 0.95 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPPARGPPARAL3MBTL1
SCHEMBL991355 0.95 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPPARGPPARAL3MBTL1
SCHEMBL820513 0.95 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPPARGPPARAL3MBTL1
SCHEMBL9712036 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPPARGPPARAL3MBTL1
SCHEMBL7411749 0.87 SMN1; SMN2 (0.57) SMN1; SMN2MAPTPPARGALDH1A1MMP8
SCHEMBL7421239 0.87 SMN1; SMN2 (0.57) SMN1; SMN2MAPTPPARGALDH1A1MMP8
SCHEMBL1859511 0.86 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNAMMP8PIN1
SCHEMBL233440 0.85 CNR2 (0.50) SMN1; SMN2PPARGPPARAMEN1KMT2A
SCHEMBL360781 0.85 CNR2 (0.50) SMN1; SMN2PPARGPPARAMEN1KMT2A
SCHEMBL233441 0.85 CNR2 (0.50) SMN1; SMN2PPARGPPARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112430591-B Nano polymer-double enzyme compound, preparation thereof and application thereof in synthesis of (R) -2-hydroxy-4-phenyl ethyl butyrate 浙江工业大学 2022-05-24 CN disclosed