SCHEMBL3966429

SCHEMBL3966429

CC(C)CCOc1cccc(C(N)CCO)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GALR3 O60755 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
CFD P00746 1/20 0.41
TPSB2 P20231 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
PDK2 Q15119 1/20 0.39
MEN1 O00255 1/20 0.38
EPHX2 P34913 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 0.88 ALDH1A1 (0.47) KDM4ETSHRSMN1; SMN2KMT2ACFD
SCHEMBL3972169 0.87 SMN1; SMN2 (0.45) KDM4ETSHRSMN1; SMN2KMT2ACFD
SCHEMBL3972478 0.86 CHEK2 (0.42) KDM4ETSHRSMN1; SMN2KMT2ACFD
SCHEMBL3968473 0.84 MAPK1 (0.43) TDP1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL3967907 0.84 TSHR (0.52) TSHRSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL3964690 0.84 CYP1A2 (0.43) KDM4ETSHRSMN1; SMN2KMT2ACFD
SCHEMBL28032740 0.83 TDP1 (0.50) TDP1KDM4EGALR3HSP90AA1NR1H4
SCHEMBL3706818 0.81 TSHR (0.39) TDP1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL3966532 0.81 KMT2A (0.52) SMN1; SMN2KMT2ACFDTPSB2
SCHEMBL24527630 0.80 AOC3 (0.53) TSHRMAPK1

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