SCHEMBL3964542

SCHEMBL3964542

NC(CCO)c1cccc(OC2CCCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
HSD11B1 P28845 1/20 0.38
KDM4C Q9H3R0 1/20 0.34
CFD P00746 1/20 0.34
TPSB2 P20231 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SLC6A3 Q01959 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL19291655 0.87 DHFR (0.43) DHFRHSD11B1KDM4CKMT2AMEN1
SCHEMBL16149995 0.81 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL2205030 0.81 DHFR (0.45) DHFRHSD11B1
SCHEMBL13779680 0.78 DHFR (0.44) DHFRHSD11B1KDM4CSLC6A3
SCHEMBL3184997 0.77 DHFR (0.53) DHFRHSD11B1KDM4CKMT2AMEN1
SCHEMBL5726536 0.77 DHFR (0.39) DHFRHSD11B1KDM4CKMT2AMEN1
SCHEMBL10183535 0.77 DHFR (0.45) DHFRHSD11B1KDM4CSLC6A3POLB
SCHEMBL3189000 0.76 DHFR (0.55) DHFRHSD11B1KDM4CKMT2AMEN1
SCHEMBL10697204 0.76 DHFR (0.41) DHFRHSD11B1KDM4C
SCHEMBL29646513 0.76 DHFR (0.57) DHFRHSD11B1KDM4CKMT2AMEN1

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-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed