SCHEMBL4604665

SCHEMBL4604665

C#CCOc1c(OC)cc(C(=O)NC2CCC2)c(C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
OPRK1 P41145 1/20 0.42
TSHR P16473 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
HPGD P15428 1/20 0.42
PTK2 Q05397 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM1A O60341 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
SCHEMBL4603554 0.96 ALDH1A1 (0.46) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4604028 0.89 ALDH1A1 (0.48) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4604866 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4603541 0.87 ALDH1A1 (0.48) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4249996 0.84 MAPK1 (0.53) ALDH1A1POLBMEN1KMT2AMAPK1
SCHEMBL4602234 0.83 KDM4E (0.45) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4248615 0.82 MEN1 (0.54) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4602096 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4242233 0.81 MEN1 (0.56) ALDH1A1L3MBTL1RAB9APOLBMEN1
SCHEMBL4603936 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1RAB9APOLBMEN1

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-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed