SCHEMBL3968441

SCHEMBL3968441

NC(=O)CCCOc1cccc(OCCNC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
F10 P00742 2/20 0.53
HPGD P15428 4/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NSD2 O96028 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL25822303 0.85 KDM4E (0.49) MTNR1AMTNR1BF10HPGDKDM4E
SCHEMBL4572134 0.84 KDM4E (0.48) MTNR1AMTNR1BF10HPGDKDM4E
SCHEMBL8901248 0.84 KDM4E (0.62) MTNR1AMTNR1BHPGDKDM4ESMN1; SMN2
SCHEMBL441754 0.82 MTNR1A (0.52) MTNR1AMTNR1BF10HPGDSMN1; SMN2
SCHEMBL2208524 0.81 CA1 (0.56) MTNR1AMTNR1BF10KDM4E
SCHEMBL9953676 0.81 L3MBTL1 (0.53) MTNR1AMTNR1BF10HPGDKDM4E
SCHEMBL25380954 0.80 DRD2 (0.60) MTNR1AMTNR1BF10HPGDSMN1; SMN2
SCHEMBL2206953 0.80 TAAR1 (0.50) SMN1; SMN2MEN1KMT2A
SCHEMBL29818781 0.80 TAAR1 (0.50) SMN1; SMN2MEN1KMT2A
SCHEMBL4569111 0.79 KDM4E (0.47) MTNR1AMTNR1BF10HPGDKDM4E

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