SCHEMBL28043853

SCHEMBL28043853

C=C(C)C(=O)OC(CCCC)COc1ccc2cc(C=O)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
THRA P10827 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL28043646 0.84 POLB (0.46) PLA2G4ATDP1THRA
SCHEMBL15463535 0.83 TDP1 (0.43) TDP1AKR1C3AKR1C2TAS1R3TAS1R1
SCHEMBL15302401 0.79 AKR1C3 (0.43) AKR1C3AKR1C2
SCHEMBL28255141 0.78 ALOX5 (0.43) TDP1
SCHEMBL28256299 0.78 POLB (0.53) PLA2G4ATDP1
SCHEMBL15302789 0.77 AKR1C3 (0.41) AKR1C3AKR1C2
SCHEMBL28466290 0.77 RARB (0.46)
SCHEMBL7273101 0.76 TDP1 (0.49) PLA2G4ATDP1
SCHEMBL28465022 0.75 TDP1 (0.42) TDP1TAS1R3TAS1R1
SCHEMBL19944479 0.75 POLB (0.48) TDP1

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-103732638-B Copolymer and liquid crystal alignment layer comprising cured product of the copolymer DIC CORP. (JP) 2016-01-20 CN disclosed
CN-105037617-A Copolymer, liquid crystal alignment layer, liquid crystal display element and optically anisotropic body DAINIPPON INK & CHEMICALS 2015-11-11 CN disclosed