SCHEMBL12353239

SCHEMBL12353239

C=C(NCC1CO1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL633304 0.82 LMNA (0.55) CYP1A2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL6154117 0.82 LMNA (0.55) CYP1A2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL633303 0.82 LMNA (0.55) CYP1A2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL5070526 0.76 MGLL (0.42) MGLLALDH1A1GAAMEN1KMT2A
SCHEMBL24819333 0.74 ALDH1A1 (0.48) LMNASMN1; SMN2ALDH1A1GAAALOX12
SCHEMBL13897189 0.72 CYP1A2 (0.50) CYP1A2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL19490270 0.71 GAA (0.49) CYP1A2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL12666945 0.71 LMNA (0.53) LMNASMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL24072582 0.71 SMN1; SMN2 (0.49) LMNASMN1; SMN2ALDH1A1GAAHTT
SCHEMBL591373 0.71 LMNA (0.60) LMNASMN1; SMN2ALDH1A1GAAHTT

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
WO-2011095311-A1 POLYANIONIC MULTIVALENT MACROMOLECULES FOR INTRACELLULAR TARGETING OF PROLIFERATION AND PROTEIN SYNTHESIS MIVENION GMBH (DE) 2011-08-11 WO disclosed