SCHEMBL28638468

SCHEMBL28638468

NCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.31
RECQL P46063 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 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
SCHEMBL18518602 0.93 TSHR (0.49) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL2542553 0.85 TSHR (0.40) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL6259578 0.85 TSHR (0.40) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL5946669 0.84 TSHR (0.39) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL13610611 0.82 TSHR (0.38) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL15496996 0.82 TSHR (0.38) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL19531998 0.82 TSHR (0.38) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL27965564 0.81 TSHR (0.47) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL12076820 0.81 TSHR (0.42) TSHRMAPTUSP2CYP1A2CYP2C19
SCHEMBL19531997 0.81 TSHR (0.38) TSHRMAPTUSP2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574125-A Particles with biocidal coating 因思特艾克申有限公司 2021-10-29 CN disclosed