SCHEMBL7064918

SCHEMBL7064918

CC#CCOc1ccccc1Cc1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TP53 P04637 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE5A O76074 1/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL7065279 0.74 CYP3A4 (0.54) KMT2ATDP1L3MBTL1KDM4ETSHR
SCHEMBL1276467 0.74 MAOB (0.54) KMT2AMEN1TSHRALDH1A1MAPK1
SCHEMBL9391810 0.70 CYP1A2 (0.49) KMT2AMEN1TDP1L3MBTL1
SCHEMBL9672470 0.69 TAAR1 (0.53) KMT2ATSHRALDH1A1
SCHEMBL21154355 0.69 CALM1 (0.54) KMT2AMEN1HPGDALDH1A1
SCHEMBL6724285 0.69 CYP3A4 (0.51) KMT2ATSHRHPGDALDH1A1
SCHEMBL109195 0.69 TAAR1 (0.64) ALDH1A1
SCHEMBL11090972 0.69 KMT2A (0.55) KMT2AMEN1TP53POLBTSHR
SCHEMBL6093005 0.69 KMT2A (0.47) KMT2AMEN1TDP1L3MBTL1TSHR
SCHEMBL7067627 0.68 TAAR1 (0.52) KDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862545-B1 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2003-06-04 EP claimed
US-6277867-B1 SYNERGISTIC MIXTURES CHINOIN GYOGYSZER ES VEGYESZETI (HU) 2001-08-21 US claimed
EP-0862545-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1998-09-09 EP claimed
EP-0862545-B1 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2003-06-04 EP disclosed
US-6277867-B1 SYNERGISTIC MIXTURES CHINOIN GYOGYSZER ES VEGYESZETI (HU) 2001-08-21 US disclosed
EP-0862545-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1998-09-09 EP disclosed
WO-1997019040-A9 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF 1997-08-07 WO disclosed
WO-1997019040-A2 PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1997-05-29 WO disclosed