SCHEMBL9570811

SCHEMBL9570811

CC1(C)Cc2cc(C(CO)C(F)(F)F)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
HIF1A Q16665 4/20 0.34
EPAS1 Q99814 4/20 0.34
HTR2A P28223 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SSTR5 P35346 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
PPARA Q07869 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
SCHEMBL9570870 0.76 MAPT (0.34) MAPTHIF1AEPAS1HTR2AKDM4E
SCHEMBL12035990 0.75 HPGD (0.40) MAPTHIF1AEPAS1KDM4EALDH1A1
SCHEMBL9570569 0.73 HDAC3 (0.49) MAPTKDM4E
SCHEMBL9570760 0.73 TDP1 (0.46) MAPTHTR2AKDM4EALDH1A1GAA
SCHEMBL9570585 0.71 CYP3A4 (0.47) MAPTKDM4EALDH1A1
SCHEMBL10407712 0.69 PKM (0.36) MAPTHIF1AEPAS1HTR2AKDM4E
SCHEMBL9570582 0.69 KMT2A (0.39) ESR1ESR2ALDH1A1GAAHSD17B10
SCHEMBL9570893 0.69 KMT2A (0.36) ESR1ESR2ALDH1A1GAA
SCHEMBL15724661 0.68 AKR1B1 (0.46) MAPTHIF1AEPAS1HTR2AAKR1B1
SCHEMBL5546007 0.68 MAPT (0.60) MAPTESR1KDM4EALDH1A1GAA

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