SCHEMBL28849396

SCHEMBL28849396

O=C(OC(=O)C(F)(F)F)n1ccc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TFPI2 P48307 1/20 0.38
NPY4R P50391 1/20 0.38
GAA P10253 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37

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
SCHEMBL18990344 0.78 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL9017035 0.78 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL4467291 0.76 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1HTR3E
Trifluoroacetic Acid SCHEMBL28849397 0.76 TSHR (0.57) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL18990269 0.75 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL1173678 0.75 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL30711215 0.75 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL28587036 0.75 NOTUM (0.47) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL691666 0.74 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL29701136 0.74 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1HTR3E

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-107108512-A Therapeutic compound and application thereof 基因泰克公司 2017-08-29 CN disclosed