SCHEMBL13600855

SCHEMBL13600855

CCOC(=O)CCCOc1cccc2cc(/C(C)=C\C(=O)Nc3ccc(OC)c(OC)c3)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
DHFR P00374 1/20 0.43
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 4/20 0.41
RAB9A P51151 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
MCL1 Q07820 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL4508615 1.00 F2RL3 (0.45) F2RL3LMNARECQLDHFRKMT2A
SCHEMBL4508617 1.00 F2RL3 (0.45) F2RL3LMNARECQLDHFRKMT2A
SCHEMBL13600825 0.91 F2RL3 (0.45) F2RL3LMNARECQLKMT2AALDH1A1
SCHEMBL4500077 0.90 LMNA (0.47) LMNARECQLDHFRKMT2AALDH1A1
SCHEMBL4500086 0.90 LMNA (0.47) LMNARECQLDHFRKMT2AALDH1A1
SCHEMBL4500088 0.90 LMNA (0.47) LMNARECQLDHFRKMT2AALDH1A1
SCHEMBL13600852 0.86 MAPT (0.52) F2RL3LMNARECQLKMT2AALDH1A1
SCHEMBL13600838 0.84 F2RL3 (0.49) F2RL3LMNARECQLKMT2AMEN1
SCHEMBL4511867 0.80 RAB9A (0.44) LMNARECQLKMT2AMEN1RAB9A
SCHEMBL4518556 0.80 MAPT (0.45) LMNARECQLALDH1A1RAB9AMAPT

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
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed