SCHEMBL3966532

SCHEMBL3966532

NC(CCO)c1cccc(OCCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CFD P00746 1/20 0.49
TPSB2 P20231 1/20 0.49
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
FFAR1 O14842 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
LTA4H P09960 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
F9 P00740 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL3972720 0.86 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2CFDTPSB2CYP4F2
SCHEMBL3964184 0.86 KMT2A (0.55) KMT2ASMN1; SMN2CFDTPSB2CYP4F2
SCHEMBL3967162 0.86 ALDH1A1 (0.47) KMT2ASMN1; SMN2CFDTPSB2
SCHEMBL3969178 0.85 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2CFDTPSB2CYP4F2
SCHEMBL15137119 0.85 KMT2A (0.54) KMT2ASMN1; SMN2CFDTPSB2CYP4F2
SCHEMBL3972169 0.84 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2CFDTPSB2
SCHEMBL3964418 0.84 KMT2A (0.53) KMT2ASMN1; SMN2CFDTPSB2CYP4F2
SCHEMBL3966429 0.81 TDP1 (0.44) KMT2ASMN1; SMN2CFDTPSB2
SCHEMBL3972478 0.81 CHEK2 (0.42) KMT2ASMN1; SMN2CFDTPSB2
SCHEMBL24527656 0.80 PTGS1 (0.50) KMT2ASMN1; SMN2CFDTPSB2LTA4H

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