SCHEMBL24740555

SCHEMBL24740555

CN(C)c1ccc(/C=C/C(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.59
RELA Q04206 1/20 0.55
HSD17B3 P37058 1/20 0.55
PTGS1 P23219 1/20 0.53
MAPT P10636 6/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CASP1 P29466 2/20 0.52
HBB P68871 2/20 0.52
ALOX15 P16050 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
BRCA1 P38398 1/20 0.48
CASP7 P55210 1/20 0.48
ALPG P10696 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
SCHEMBL10411806 0.88 APP (0.59) APPRELAHSD17B3PTGS1MAPT
SCHEMBL10411804 0.88 APP (0.59) APPRELAHSD17B3PTGS1MAPT
SCHEMBL22359184 0.86 APP (0.57) APPRELAHSD17B3PTGS1MAPT
SCHEMBL9967773 0.81 APP (0.59) APPRELAHSD17B3PTGS1MAPT
SCHEMBL11971034 0.80 APP (0.50) APPRELAHSD17B3PTGS1MAPT
SCHEMBL11971035 0.80 APP (0.50) APPRELAHSD17B3PTGS1MAPT
SCHEMBL7915381 0.79 RELA (0.81) APPRELAHSD17B3PTGS1MAPT
SCHEMBL1714446 0.79 RELA (0.81) APPRELAHSD17B3PTGS1MAPT
SCHEMBL13467434 0.79 RELA (0.81) APPRELAHSD17B3PTGS1MAPT
SCHEMBL3025040 0.79 RELA (0.81) APPRELAHSD17B3PTGS1MAPT

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-20220259490-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2022-08-18 US disclosed