SCHEMBL26980906

SCHEMBL26980906

O=[N+]([O-])c1ccc(CC(CO)(CO)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.52
CYP2C19 P33261 4/20 0.50
ALDH1A1 P00352 3/20 0.50
IDO1 P14902 4/20 0.47
AKR1C3 P42330 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CES1 P23141 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL679408 0.96 TSHR (0.58) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL12786790 0.85 TSHR (0.47) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL12786654 0.83 TSHR (0.45) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL12713958 0.78 TSHR (0.37) TSHRLOXL2CYP2C19ALDH1A1
SCHEMBL5960922 0.78 IDO1 (0.53) TSHRLOXL2CYP2C19ALDH1A1IDO1
Paranitrobenzyl Alcohol SCHEMBL114620 0.77 TSHR (0.69) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL1627332 0.77 TSHR (0.53) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL14935124 0.77 TSHR (0.58) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL10597552 0.76 LOXL2 (0.55) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL9474702 0.76 LOXL2 (0.55) TSHRLOXL2CYP2C19ALDH1A1IDO1

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
US-11866548-B2 Perfluoropolyether compound, lubricant, and magnetic disk MORESCO CORPORATION (JP) 2024-01-09 US disclosed
US-20220267516-A1 Perfluoropolyether Compound, Lubricant, And Magnetic Disk MORESCO CORPORATION (JP) 2022-08-25 US disclosed
WO-2022158501-A1 PERFLUOROPOLYETHER COMPOUND, LUBRICANT, AND MAGNETIC DISC 株式会社MORESCO 2022-07-28 WO disclosed