SCHEMBL8318530

SCHEMBL8318530

CCOC(C)Oc1cccc([S+](c2cccc(OC(C)OCC)c2)c2cccc(OC(C)OCC)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MTNR1A P48039 10/20 0.34
MTNR1B P49286 10/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NSD2 O96028 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 2/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL8317774 0.88 MAPT (0.34) LMNAMTNR1AMTNR1BTP53KDM4E
SCHEMBL8320379 0.87 KAT6A (0.34) MTNR1AMTNR1BRXRARXRBKDM4E
SCHEMBL20885297 0.86 LMNA (0.44) LMNAMTNR1AMTNR1BTP53CYP3A4
SCHEMBL8651776 0.83 CA2 (0.34) LMNATP53CYP3A4ALDH1A1MEN1
SCHEMBL8649237 0.83 GRM2 (0.37) ALDH1A1L3MBTL1MEN1GAAKMT2A
SCHEMBL8649883 0.81 KAT6A (0.33) ALDH1A1MEN1KMT2A
SCHEMBL8649691 0.81 GRM2 (0.36) KDM4EALDH1A1L3MBTL1GAAHTT
SCHEMBL8317348 0.81 ALDH1A1 (0.32) LMNATP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL16981249 0.79 ACHE (0.47) LMNAALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL544377 0.79 MTNR1A (0.49) LMNAMTNR1AMTNR1BALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed