SCHEMBL9570671

SCHEMBL9570671

CCCc1ccc(C(C=O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
CA2 P00918 1/20 0.37
ACACB O00763 2/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MGLL Q99685 1/20 0.35
PLK1 P53350 1/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.34
HTR2A P28223 1/20 0.34
ACACA Q13085 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9570843 0.86 TSHR (0.41) CA2MGLLPLK1NPC1ALDH1A1
SCHEMBL4573831 0.77 CA2 (0.44) THRBCA2ACACBLPLLIPG
SCHEMBL9570836 0.76 ALDH1A1 (0.38) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9570796 0.76 TYR (0.48) MGLLALDH1A1HTT
SCHEMBL9570654 0.76 CYP2A6 (0.38) CA2KMT2AALDH1A1MAPTHTT
SCHEMBL9570646 0.76 CA12 (0.41) CA2ACACBPLK1KMT2AALDH1A1
SCHEMBL9570747 0.75 NQO1 (0.47) CA2ACACBALDH1A1ACACA
SCHEMBL19393176 0.74 KMT2A (0.40) CA2ACACBLPLLIPGMGLL
SCHEMBL3711064 0.74 ACACB (0.43) THRBCA2ACACBLPLLIPG
SCHEMBL13308116 0.74 ACACB (0.43) THRBCA2ACACBLPLLIPG

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