SCHEMBL28804497

SCHEMBL28804497

NCCCCC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
KMT2A Q03164 3/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PLG P00747 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC6A2 P23975 1/20 0.40
RECQL P46063 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP1A2 P05177 3/20 0.39
PAOX Q6QHF9 1/20 0.39
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 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
SCHEMBL27663022 0.85 HDAC6 (0.32) HDAC6ALDH1A1CYP1A2
SCHEMBL28573729 0.84 FAAH (0.35) HDAC6KMT2AMEN1CYP1A2HDAC1
SCHEMBL22605826 0.80 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1CYP1A2TSHR
SCHEMBL887119 0.80 NFKB1 (0.55) CYP2D6NFKB1HDAC6KMT2ABLM
SCHEMBL6618945 0.80 FAAH (0.55) KMT2ALMNAMEN1CYP1A2FAAH
SCHEMBL5769222 0.79 CAMK2A (0.37) ALDH1A1TSHRFAAH
SCHEMBL25289198 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL31140192 0.78 FAAH (0.57) KMT2ALMNAMEN1CYP1A2FAAH
SCHEMBL6619179 0.78 FAAH (0.57) KMT2ALMNAMEN1CYP1A2FAAH
SCHEMBL6624090 0.78 FAAH (0.57) KMT2ALMNAMEN1CYP1A2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114824119-A Perovskite light-emitting diode based on ternary functional group synergistically enhanced interface passivation and preparation method thereof 吉林大学 2022-07-29 CN claimed
CN-114824119-A Perovskite light-emitting diode based on ternary functional group synergistically enhanced interface passivation and preparation method thereof 吉林大学 2022-07-29 CN disclosed
CN-114824119-A Perovskite light-emitting diode based on ternary functional group synergistically enhanced interface passivation and preparation method thereof 吉林大学 2022-07-29 CN disclosed