SCHEMBL6905820

SCHEMBL6905820

CC(O)C(CO)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP2D6 P10635 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
LTA4H P09960 1/20 0.34
TRPA1 O75762 1/20 0.34
MAOA P21397 1/20 0.34
PTGS1 P23219 1/20 0.34
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL17583102 0.85 LMNA (0.43) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL21194972 0.81 LMNA (0.46) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL11663267 0.74 LMNA (0.45) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL14875141 0.74 LMNA (0.45) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL28272832 0.73 LMNA (0.41) LMNACYP2D6ADRB2ADRB1ADRB3
Propylene Glycol SCHEMBL6558523 0.73 LMNA (0.50) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL10758629 0.73 ALDH1A1 (0.43) LMNAALDH1A1RECQLLTA4HPOLB
SCHEMBL8187179 0.72 LMNA (0.44) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL1757874 0.71 ALDH1A1 (0.41) LMNACYP2D6ALDH1A1RECQLLTA4H
SCHEMBL16819049 0.71 LMNA (0.42) LMNACYP2D6ADRB2ADRB1ADRB3

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
EP-1441844-A1 HYDROPHOBICALLY MODIFIED SACCHARIDE SURFACTANTS Tiense Suikerraffinaderij N.V. (BE) 2004-08-04 EP disclosed
WO-2003031043-A1 HYDROPHOBICALLY MODIFIED SACCHARIDE SURFACTANTS TIENSE SUIKERRAFFINADERIJ N.V. (BE) 2003-04-17 WO disclosed