SCHEMBL9583294

SCHEMBL9583294

COC(=O)C1(F)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL4809454 0.82 MEN1 (0.46) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL5501580 0.81 CHRNA7 (0.44) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL5500525 0.81 CHRNA7 (0.44) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL27623429 0.81 CHRNA7 (0.44) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL4811022 0.80 HTR3E (0.43) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL4815140 0.79 TSHR (0.41) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL4816473 0.79 TSHR (0.41) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL4811857 0.79 TRPM8 (0.43) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL4804786 0.78 LMNA (0.41) TSHRMEN1KMT2AGAAHTR3E
SCHEMBL4811547 0.77 TSHR (0.40) TSHRMEN1KMT2AGAAHTR3E

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
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US 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