SCHEMBL9570896

SCHEMBL9570896

O=CC(c1ccc2c(c1)CCC2)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HSD17B4 P51659 1/20 0.33
TRPV1 Q8NER1 7/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 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
SCHEMBL9570602 0.97 KMT2A (0.39) KMT2AHTTMEN1ALDH1A1CA12
SCHEMBL9570604 0.75 HDAC3 (0.49)
SCHEMBL3806120 0.74 ALDH1A1 (0.39) KMT2AHTTMEN1ALDH1A1CA12
SCHEMBL9570822 0.72 CES2 (0.40)
SCHEMBL9570662 0.72 ALDH1A1 (0.41) HTTALDH1A1
SCHEMBL5032752 0.70 ALDH1A1 (0.41) KMT2AHTTMEN1ALDH1A1CA12
SCHEMBL9570827 0.70 TP53 (0.31) ALDH1A1
SCHEMBL9570893 0.70 KMT2A (0.36) KMT2AHTTMEN1ALDH1A1HSP90AA1
SCHEMBL24893849 0.70 KEAP1 (0.45) KMT2AHTTMEN1ALDH1A1HSP90AA1
SCHEMBL30207014 0.70 KEAP1 (0.45) KMT2AHTTMEN1ALDH1A1HSP90AA1

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