SCHEMBL30189707

SCHEMBL30189707

O=C(O)CCCCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TGM2 P21980 1/20 0.55
FOLH1 Q04609 3/20 0.53
EPOR P19235 2/20 0.52
TSHR P16473 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
KMT2A Q03164 2/20 0.49
PTGER4 P35408 3/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL24038747 0.92 LMNA (0.76) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL9132655 0.90 HTT (0.79) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL20285821 0.89 HTT (0.69) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL5058688 0.89 HTT (0.77) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL18751657 0.89 HTT (0.76) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL17350181 0.88 LMNA (0.67) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL25330907 0.88 LMNA (0.74) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL7682044 0.88 LMNA (0.69) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL4857273 0.88 HTT (0.88) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL125577 0.88 HTT (0.88) HTTLMNASMN1; SMN2TGM2FOLH1

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
EP-4150009-A1 FLUOROGENIC DIMER COMPOUND, USEFUL AS A PROBE FOR DETECTION OF ENDOGENOUS RECEPTORS Université de Strasbourg (FR) 2023-03-22 EP disclosed