SCHEMBL5409684

SCHEMBL5409684

O=C(OCCN1CCCC1=O)C1CC2CCC1O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
KCNH2 Q12809 1/20 0.34
HTT P42858 1/20 0.32

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
SCHEMBL14424144 0.96 ADRA1D (0.35) TSHRPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL14424145 0.95 ADRA1D (0.35) TSHRPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL501703 0.80 HTR1A (0.37) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL5412073 0.79 HTR1A (0.38) HTR1ADRD2DRD4KCNH2
SCHEMBL501997 0.79 KMT2A (0.38) KMT2AMEN1KDM4EHTR1ADRD2
SCHEMBL14424143 0.77 MEN1 (0.45) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL502008 0.75 ATM (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL14424122 0.75 HTR1A (0.36) HTR1ADRD2DRD4KCNH2
SCHEMBL14424136 0.74 ATM (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL14424128 0.74 PSMB8 (0.36) HTR1ADRD2DRD4KCNH2

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 4 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
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-20050238993-A1 Nitrogen-containing organic compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2005-10-27 US disclosed