SCHEMBL9570593

SCHEMBL9570593

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.47
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 2/20 0.39
ALOX15 P16050 2/20 0.39
PKM P14618 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.39
GFER P55789 1/20 0.39
ADAM17 P78536 1/20 0.39
HSD17B2 P37059 1/20 0.36
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL9570578 0.84 ALDH1A3 (0.50) ALDH1A1KMT2ANPSR1ALDH1A3
SCHEMBL9570567 0.81 ALDH1A1 (0.41) ALDH1A1HTTMAPTPDE2A
SCHEMBL9570882 0.80 PDE2A (0.42) ALDH1A1MEN1KMT2AMAPTDAO
SCHEMBL9570869 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL9570814 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHTTMAPT
SCHEMBL9570747 0.76 NQO1 (0.47) ALDH1A1LMNA
SCHEMBL21988008 0.76 DRD1 (0.52) DRD1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9570876 0.75 IDO1 (0.35) ALDH1A1LMNASMN1; SMN2
SCHEMBL3244593 0.74 DRD1 (0.50) DRD1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9570646 0.73 CA12 (0.41) ALDH1A1MEN1KMT2ALMNAMAPT

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