SCHEMBL9469014

SCHEMBL9469014

CC(COCCOCCO)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
CYP3A4 P08684 3/20 0.55
APP P05067 5/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
NR1I2 O75469 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PSMB1 P20618 1/20 0.37

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
SCHEMBL466179 0.83 SMN1; SMN2 (0.58) SMN1; SMN2CYP3A4APPLMNAMEN1
Di(Hydroxyethyl)Ether SCHEMBL9469009 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4APPLMNAMEN1
SCHEMBL5468192 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP3A4APPLMNAMEN1
SCHEMBL5457352 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP3A4APPLMNAMEN1
SCHEMBL970017 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP3A4APPLMNAMEN1
SCHEMBL9792272 0.81 MEN1 (0.40) SMN1; SMN2CYP3A4LMNAMEN1KMT2A
SCHEMBL5459507 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP3A4APPLMNAMEN1
SCHEMBL19912050 0.81 CYP3A4 (0.56) SMN1; SMN2CYP3A4APPLMNAMEN1
SCHEMBL466186 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP3A4APPLMNAMEN1
SCHEMBL12391998 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP3A4APPLMNAMEN1

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
US-5270383-A Preparation of aqueous polyurethane dispersions BASF AKTIENGESELLSCHAFT (DE) 1993-12-14 US disclosed