SCHEMBL14424136

SCHEMBL14424136

O=C(OCCN1CCOCCOCCOCCOCC1)C1CC2CCC1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRCP P42785 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL502008 0.99 ATM (0.41) ATMALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL5412073 0.91 HTR1A (0.38) ATM
SCHEMBL501703 0.88 HTR1A (0.37) ALDH1A1KMT2ABCHEMEN1CYP1A2
SCHEMBL501997 0.87 KMT2A (0.38) KMT2ABCHEMEN1CYP3A4KDM4E
SCHEMBL14424122 0.86 HTR1A (0.36)
SCHEMBL14424128 0.76 PSMB8 (0.36)
SCHEMBL14424126 0.76 SLC18A3 (0.37) ALDH1A1SMN1; SMN2GAAHSD17B10L3MBTL1
SCHEMBL14424083 0.75 PPM1B (0.36)
SCHEMBL1377797 0.74 ATM (0.50) ATMALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL5409684 0.74 TSHR (0.38) ALDH1A1SMN1; SMN2KMT2AGAAMEN1

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-7261995-B2 Nitrogen-containing organic compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7261995-B2 Nitrogen-containing organic compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-28 US disclosed