SCHEMBL9570866

SCHEMBL9570866

CC(C)(C)c1ccc(C(CO)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TYR P14679 1/20 0.40
RECQL P46063 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EEF2K O00418 1/20 0.37
TSHR P16473 1/20 0.37
GRIA4 P48058 2/20 0.37
FFAR1 O14842 1/20 0.36
PDE2A O00408 1/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 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
SCHEMBL9862583 0.84 ESR1 (0.44) ESR1ESR2PDE2A
SCHEMBL9570660 0.84 ESR1 (0.44) ESR1ESR2PDE2A
SCHEMBL13965561 0.82 GRIA4 (0.41) LMNAESR1ESR2TYRSMN1; SMN2
SCHEMBL9570892 0.81 ESR1 (0.42) ESR1ESR2PDE2A
SCHEMBL9570735 0.80 ESR1 (0.44) ESR1ESR2AKR1C3AKR1C2ALDH1A1
SCHEMBL9570823 0.80 ESR1 (0.44) ESR1ESR2TYRSMN1; SMN2ALDH1A1
SCHEMBL9570647 0.78 ESR1 (0.40) ESR1ESR2PDE2A
SCHEMBL9570698 0.78 ESR1 (0.46) ESR1ESR2AOC3
SCHEMBL9570755 0.77 ABCB11 (0.46) ESR1ESR2TSHRAOC3ALDH1A1
SCHEMBL9570673 0.77 ESR1 (0.50) LMNAESR1ESR2AKR1C3AKR1C2

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