SCHEMBL9570800

SCHEMBL9570800

Cc1cccc(C(C=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ACP3 P15309 1/20 0.40
MAPK1 P28482 2/20 0.40
ACHE P22303 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HSD17B2 P37059 2/20 0.34
AOC3 Q16853 1/20 0.34
PTPN5 P54829 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL8330636 0.80 HDAC4 (0.42) MAPK1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL9570750 0.79 ACP3 (0.47) ACP3MAPK1HSD17B2
SCHEMBL9570713 0.79 ACP3 (0.40) GAAACP3AOC3CYP1A2CYP2C9
SCHEMBL10718983 0.79 PGK1 (0.36) ACP3PTPN5
SCHEMBL9570705 0.78 CHRM2 (0.46) L3MBTL1ACHEAOC3HTTALDH1A1
SCHEMBL9570654 0.77 CYP2A6 (0.38) NPSR1GAAACHEHSD17B2TDP1
SCHEMBL1225030 0.77 CYP2D6 (0.39) ACP3MAPK1TAAR1CYP2D6
SCHEMBL9570827 0.76 TP53 (0.31) TP53ALDH1A1
SCHEMBL24961918 0.75 ACHE (0.46) NPSR1L3MBTL1GAAACP3MAPK1
SCHEMBL2558034 0.75 ACHE (0.46) L3MBTL1GAAACP3MAPK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed