SCHEMBL9770879

SCHEMBL9770879

CCc1ccc(C(=O)C(F)C(=O)C(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
PLK1 P53350 1/20 0.46
CHRM2 P08172 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD3 P35462 1/20 0.44
OPRD1 P41143 1/20 0.44
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL9770790 0.79 ALDH1A1 (0.46) ALDH1A1CHRM2ADRA2BDRD3SIGMAR1
SCHEMBL711850 0.77 CES2 (0.48) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL2699118 0.76 CES2 (0.46) LMNARAB9ANPC1MAPTHPGD
SCHEMBL1115093 0.76 CES2 (0.46) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL8220499 0.75 PLK1 (0.46) ALDH1A1PLK1TAS1R3TAS1R1LMNA
SCHEMBL709890 0.75 CES2 (0.52) ALDH1A1PLK1LMNATDP1RAB9A
SCHEMBL13395492 0.75 ALDH1A1 (0.50) ALDH1A1PLK1CHRM2CYP2D6ADRA2B
SCHEMBL3129690 0.75 ALDH1A1 (0.59) ALDH1A1PLK1CHRM2CYP2D6ADRA2B
SCHEMBL523477 0.75 TDP1 (0.48) ALDH1A1ADRA2BKCNH2LMNASMN1; SMN2
SCHEMBL9565954 0.73 TDP1 (0.47) ALDH1A1ADRA2BKCNH2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289390-B1 PROCESS FOR ELIMINATING RADIOACTIVITY FROM EFFLUENTS BY LIQUID-LIQUID EXTRACTION RHONE-POULENC CHIMIE (FR) 1991-10-16 EP disclosed
US-5006254-A Extraction with halogenated beta-diketone RHONE-POULENC CHIMIE (FR) 1991-04-09 US disclosed
EP-0289390-A1 Process for eliminating radioactivity from effluents by liquid-liquid extraction RHONE-POULENC CHIMIE (FR) 1988-11-02 EP disclosed