SCHEMBL3972169

SCHEMBL3972169

NC(CCO)c1cccc(OCCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
CFD P00746 1/20 0.43
TPSB2 P20231 1/20 0.43
PRSS1 P07477 9/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS2 P07478 1/20 0.38
C1S P09871 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL3967162 0.92 ALDH1A1 (0.47) SMN1; SMN2KMT2ACFDTPSB2PRSS1
SCHEMBL3967907 0.88 TSHR (0.52) SMN1; SMN2KMT2AALDH1A1LMNATSHR
SCHEMBL3968473 0.88 MAPK1 (0.43) SMN1; SMN2KMT2ACFDTPSB2PRSS1
SCHEMBL3964690 0.88 CYP1A2 (0.43) SMN1; SMN2KMT2ACFDTPSB2PRSS1
SCHEMBL3966429 0.87 TDP1 (0.44) SMN1; SMN2KMT2ACFDTPSB2KDM4E
SCHEMBL3972478 0.87 CHEK2 (0.42) SMN1; SMN2KMT2ACFDTPSB2KDM4E
SCHEMBL3706818 0.85 TSHR (0.39) SMN1; SMN2KMT2ACFDTPSB2KDM4E
SCHEMBL3966532 0.84 KMT2A (0.52) SMN1; SMN2KMT2ACFDTPSB2
SCHEMBL3969178 0.83 SMN1; SMN2 (0.54) SMN1; SMN2KMT2ACFDTPSB2KDM4E
SCHEMBL15137119 0.83 KMT2A (0.54) SMN1; SMN2KMT2ACFDTPSB2PRSS1

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