SCHEMBL9823243

SCHEMBL9823243

COc1ccc(C=Cc2ccc(N(C)Cc3ccco3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
TRPA1 O75762 1/20 0.45
MAPT P10636 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
GLA P06280 1/20 0.44
PTGS1 P23219 1/20 0.43

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
SCHEMBL10564229 0.82 MAPT (0.50) ALDH1A1LMNAL3MBTL1GAAMAPT
SCHEMBL10769377 0.75 CYP1A2 (0.46) ALDH1A1LMNAL3MBTL1GAAMAPT
SCHEMBL19076202 0.71 TRPA1 (0.58) ALDH1A1LMNAL3MBTL1GAATRPA1
SCHEMBL6368607 0.70 MAOB (0.66) LMNATRPA1MAPTCYP1A2CYP3A4
SCHEMBL5494948 0.70 MAOB (0.66) LMNATRPA1MAPTCYP1A2CYP3A4
SCHEMBL8630615 0.70 CNR1 (0.45) ALDH1A1LMNAL3MBTL1GAAMAPT
SCHEMBL8748519 0.69 CNR1 (0.49) ALDH1A1LMNAL3MBTL1GAAMAPT
SCHEMBL22340870 0.69 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1GAAMAPT
SCHEMBL5491168 0.69 RELA (0.63) ALDH1A1LMNATRPA1MAPTHPGD
SCHEMBL5490866 0.69 RELA (0.63) ALDH1A1LMNATRPA1MAPTHPGD

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-0242170-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING-MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1991-09-18 EP disclosed