SCHEMBL29118166

SCHEMBL29118166

Oc1cc(C(F)(F)F)cc(C(F)(C(F)F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PTGS1 P23219 3/20 0.35
IDO1 P14902 2/20 0.34
KIF11 P52732 1/20 0.33
TACR1 P25103 3/20 0.33
P2RX1 P51575 2/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL28641919 0.81 TSHR (0.31) GABRA1GABRB2
SCHEMBL186842 0.80 GABRA1 (0.52) CES2GABRA1GABRB2PTGS1IDO1
SCHEMBL29384937 0.78 GABRA1 (0.50) CES2GABRA1GABRB2PTGS1IDO1
SCHEMBL29886876 0.78 CES2 (0.56) CES2GABRA1GABRB2PTGS1IDO1
Water SCHEMBL21493255 0.78 GABRA1 (0.50) CES2GABRA1GABRB2PTGS1IDO1
SCHEMBL29005991 0.78 GABRA1 (0.50) CES2GABRA1GABRB2PTGS1IDO1
SCHEMBL29170632 0.75 CES2 (0.48) CES2GABRA1GABRB2PTGS1IDO1
SCHEMBL69029 0.75 PTGS1 (0.52) CES2GABRA1GABRB2PTGS1IDO1
SCHEMBL28902267 0.74 LMNA (0.41) CES2KIF11P2RX1MAPT
SCHEMBL8999962 0.74 ESR1 (0.50) CES2GABRA1GABRB2PTGS1IDO1

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-110874015-B Photosensitive resin composition, photosensitive resin layer using same, and electronic device 三星SDI株式会社 2023-02-28 CN disclosed