SCHEMBL28137155

SCHEMBL28137155

CC(C)Cc1ccc(I)cc1.F[P-](F)(F)(F)(F)F.[H+]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PMP22 Q01453 2/20 0.48
APEX1 P27695 1/20 0.48
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL662503 0.89 CYP1A2 (0.59) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL28273941 0.88 CYP1A2 (0.50) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL28110295 0.85 CYP1A2 (0.52) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL19353723 0.83 CYP1A2 (0.53) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL1131597 0.76 PTGS1 (0.56) PMP22PTGS1PTGS2LMNACYP2C9
SCHEMBL29988083 0.75 CYP1A2 (0.46) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL5174938 0.74 PTGS1 (0.54) PMP22PTGS1PTGS2LMNACYP2C9
SCHEMBL14022429 0.72 CYP1A2 (0.52) CYP1A2CYP2D6PMP22APEX1PTGS1
Hydrogen Peroxide SCHEMBL9581174 0.71 PTGS1 (0.64) PMP22PTGS1PTGS2LMNACYP2C9
P-Iodoamphetamine SCHEMBL166055 0.71 TAAR1 (0.61) CYP1A2CYP2D6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593717-B Polarization plates and the image display device comprising the polarization plates LG化学株式会社 2018-03-13 CN disclosed
CN-104685019-B Radically curable adhesive composition and polarizing plate comprising same LG化学株式会社 2017-05-24 CN disclosed
CN-104395422-B Radical curable adhesive composition and polarizing plate including the same LG化学株式会社 2017-05-24 CN disclosed
CN-104685392-B Polarizer LG化学株式会社 2017-03-01 CN disclosed