SCHEMBL4603541

SCHEMBL4603541

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
SIRT5 Q9NXA8 1/20 0.41
CNR2 P34972 5/20 0.41
CNR1 P21554 1/20 0.41
PTK2 Q05397 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
SCHEMBL4602234 0.96 KDM4E (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4602096 0.92 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4603936 0.90 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4604665 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL11711686 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4605222 0.84 HPGD (0.41) ALDH1A1RAB9AL3MBTL1HPGDCNR2
SCHEMBL4604028 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4603554 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4249996 0.82 MAPK1 (0.53) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL4603892 0.82 HPGD (0.41) ALDH1A1RAB9AMAPK1SMN1; SMN2HPGD

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