SCHEMBL7039162

SCHEMBL7039162

CCCOC(=O)C(O)Cc1ccc(OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACACB O00763 3/20 0.45
NR1I2 O75469 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PDE4A P27815 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL14532665 0.91 LMNA (0.51) LMNAL3MBTL1ACACBSMN1; SMN2ALDH1A1
SCHEMBL7041549 0.90 MEN1 (0.48) LMNAL3MBTL1ACACBNR1I2SMN1; SMN2
SCHEMBL7038260 0.87 LMNA (0.48) LMNAL3MBTL1ACACBSMN1; SMN2ALDH1A1
SCHEMBL7041092 0.85 PPARG (0.51) ACACBPPARGPPARDPPARA
SCHEMBL30462512 0.83 LMNA (0.49) LMNAL3MBTL1ACACBNR1I2SMN1; SMN2
SCHEMBL7039641 0.83 ADRB2 (0.43) LMNAL3MBTL1ACACBNR1I2PPARG
SCHEMBL7041061 0.83 ADRB2 (0.43) LMNAL3MBTL1ACACBNR1I2PPARG
SCHEMBL6738407 0.82 LTA4H (0.57) LMNAL3MBTL1PPARGPPARDPPARA
SCHEMBL6738411 0.82 LTA4H (0.57) LMNAL3MBTL1PPARGPPARDPPARA
SCHEMBL9302656 0.80 ESR1 (0.53) LMNASMN1; SMN2MEN1ALDH1A1MAPK1

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
WO-2003002508-A1 DERIVATIVES OF PARA-ETHOXY-PHENILLACTIC ACID DR. REDDY'S RESEARCH FOUNDATION (IN) 2003-01-09 WO claimed