SCHEMBL9570567

SCHEMBL9570567

O=CC(c1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV1 Q8NER1 3/20 0.38
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
PTGES2 Q9H7Z7 2/20 0.34
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
EPHX2 P34913 1/20 0.32
PDE2A O00408 1/20 0.31
SCN9A Q15858 1/20 0.31
CETP P11597 1/20 0.30

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
SCHEMBL9570814 0.90 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10TRPV1MAPT
SCHEMBL9570882 0.86 PDE2A (0.42) ALDH1A1TRPV1MAPTPIM1PIM2
SCHEMBL9570593 0.81 DRD1 (0.47) ALDH1A1MAPTHTTPDE2A
SCHEMBL9570869 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL1907911 0.77 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TRPV1MAPT
SCHEMBL9570578 0.76 ALDH1A3 (0.50) ALDH1A1
SCHEMBL9570747 0.75 NQO1 (0.47) ALDH1A1TSHR
SCHEMBL465606 0.74 DRD1 (0.52) ALDH1A1TSHRHSD17B10TRPV1PTGES2
SCHEMBL9570876 0.74 IDO1 (0.35) ALDH1A1
SCHEMBL9570650 0.72 CA12 (0.44) ALDH1A1MAPT

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