SCHEMBL9570585

SCHEMBL9570585

OCC(c1ccc2c(c1)OCO2)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 3/20 0.47
EDNRA P25101 1/20 0.47
MAPK9 P45984 1/20 0.43
ACHE P22303 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
SMAD3 P84022 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7125910 0.78 CYP3A4 (0.46) CYP3A4CYP2D6EDNRAMAPK9ACHE
SCHEMBL9570569 0.77 HDAC3 (0.49) KDM4ENPC1MAPTRAB9A
SCHEMBL1155555 0.76 CYP3A4 (0.56) CYP3A4CYP2D6EDNRAMAPK9CYP1A2
SCHEMBL22785945 0.76 CYP3A4 (0.56) CYP3A4CYP2D6EDNRAMAPK9CYP1A2
SCHEMBL22785907 0.76 CYP3A4 (0.56) CYP3A4CYP2D6EDNRAMAPK9CYP1A2
SCHEMBL15262580 0.75 CYP3A4 (0.51) CYP3A4CYP2D6EDNRAMAPK9CYP1A2
SCHEMBL13440329 0.75 SLC6A4 (0.46) CYP3A4CYP2D6MAPK9ACHECYP1A2
SCHEMBL12086931 0.75 SLC6A4 (0.46) CYP3A4CYP2D6MAPK9ACHECYP1A2
SCHEMBL13226837 0.75 CYP2D6 (0.48) CYP3A4CYP2D6ACHECYP1A2CYP2C9
SCHEMBL15262576 0.75 CYP3A4 (0.51) CYP3A4CYP2D6EDNRAMAPK9CYP1A2

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-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
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US 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