SCHEMBL28405229

SCHEMBL28405229

O=C(F)CCCCCCCCCCCCCCCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.37
CES1 P23141 5/20 0.37
CES2 O00748 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX5 P09917 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL20543468 1.00 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20543472 1.00 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28403565 1.00 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8744170 0.97 FAAH (0.34) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8743995 0.90 FAAH (0.31) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2672048 0.81 TSHR (0.47) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL24096259 0.80 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7813622 0.80 TSHR (0.60) MEN1KMT2AHSD17B10LMNATSHR
SCHEMBL10442027 0.80 TSHR (0.60) MEN1KMT2AHSD17B10LMNATSHR
SCHEMBL21850118 0.80 TSHR (0.60) MEN1KMT2AHSD17B10LMNATSHR

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
CN-108473413-B Carboxylic acid ester compound having polymerizable functional group and fluorine atom group, and method for producing same 优迈特株式会社 2020-04-21 CN disclosed
CN-106232575-B Carboxylic ester/urethane compound having polymerizable functional group and fluorine atom group, and method for producing same 优迈特株式会社 2020-02-21 CN disclosed