SCHEMBL1770490

SCHEMBL1770490

NC(=O)NCCCCCO[SiH3]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
ACHE P22303 6/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAOX Q6QHF9 2/20 0.36
EPHX1 P07099 3/20 0.35
ALDH1A2 O94788 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL3413637 0.98 KDM4E (0.34) KDM4EMAPK1HIF1AACHEALDH1A1
SCHEMBL28622543 0.82 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL11180722 0.82 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL1309360 0.82 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL1837168 0.82 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL1839119 0.82 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL11173620 0.82 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL28560371 0.82 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL21783982 0.79 TSHR (0.52) KDM4EMAPK1HIF1AACHEALDH1A1
SCHEMBL1837224 0.79 KDM4E (0.48) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2228365-A None JP disclosed
US-20110111233-A1 INORGANIC NANOPARTICLE LABELING AGENT KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-05-12 US disclosed
EP-0513368-A1 FROSTING AGENT FOR WATER-BASED POLYURETHANE AND PRODUCTION THEREOF MOON-STAR CHEMICAL CORPORATION (JP) 1992-11-19 EP disclosed
JP-H02228365-A TWO-COMPONENT HARDENABLE COMPOSITION WITH IMPROVED STORAGE STABILITY KANEGAFUCHI CHEM IND CO LTD 1990-09-11 JP disclosed
EP-0342788-A1 Synthetic resin composition Bridgestone Corporation (JP) 1989-11-23 EP disclosed