SCHEMBL28855372

SCHEMBL28855372

CCCCCc1ccc(F)c([Ti])c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.43
ALOX5 P09917 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LIPG Q9Y5X9 1/20 0.37
HTR2A P28223 1/20 0.36
PTGS2 P35354 2/20 0.33
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32

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
SCHEMBL27482475 0.98 TYR (0.46) TYRALOX5TP53CYP3A4MEN1
SCHEMBL27548301 0.94 TYR (0.43) TYRALOX5TP53CYP3A4MEN1
Pyrrole SCHEMBL27716148 0.91 TYR (0.37) TYRALOX5TP53CYP3A4MEN1
SCHEMBL28448290 0.86 CTSL (0.35)
SCHEMBL28743217 0.85 CTSL (0.34)
SCHEMBL26240937 0.82 TYR (0.47) TYRALOX5TP53CYP3A4MEN1
SCHEMBL21399635 0.76 TYR (0.47) TYRALOX5TP53CYP3A4MEN1
SCHEMBL18364622 0.75 TYR (0.50) TYRALOX5TP53CYP3A4MEN1
SCHEMBL9493209 0.74 LIPG (0.49) TYRALOX5TP53CYP3A4MEN1
SCHEMBL27553592 0.74 ALDH1A1 (0.34) CYP3A4TSHRHTTTDP1KDM4E

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-115151028-A Insulating film for electronic component and method for producing insulating film for electronic component 太阳油墨制造株式会社 2022-10-04 CN disclosed