SCHEMBL9572091

SCHEMBL9572091

CCOC(=O)C1(F)CCCCC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SCN1A P35498 1/20 0.38

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
SCHEMBL9583645 0.98 CYP3A4 (0.40) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL10389179 0.79 KDM4E (0.40) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL9583882 0.79 MAPT (0.44) CYP3A4LMNAABCB11CYP1A2CHRM2
SCHEMBL16391282 0.78 F10 (0.49) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL1066368 0.78 F10 (0.49) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL24565293 0.78 F10 (0.38) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL16214712 0.78 F10 (0.49) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL19419830 0.77 CYP3A4 (0.38) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL24565300 0.77 CYP3A4 (0.38) F10CYP3A4LMNAABCB11CYP1A2
SCHEMBL9584185 0.77 F10 (0.37) F10CYP3A4LMNAABCB11CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5301845-A None JP disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
JP-H05301845-A PRODUCTION OF 2-ALKOXYCARBONYL-2-FLUOROCYCLOALKANOL DERIVATIVE MITSUBISHI PETROCHEM CO LTD 1993-11-16 JP disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed