SCHEMBL28393243

SCHEMBL28393243

C=C(COC(=O)CCP(=O)(O)c1ccccc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
POLB P06746 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 2/20 0.35
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL28394902 0.89 CFTR (0.44) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL13498174 0.84 CFTR (0.50) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL4558544 0.80 CFTR (0.60) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL258548 0.78 CFTR (0.46) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL7616535 0.78 SMN1; SMN2 (0.61) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL258577 0.76 POLB (0.45) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL258657 0.75 CFTR (0.43) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL13498168 0.74 SMN1; SMN2 (0.76) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL13109378 0.74 LPAR1 (0.44) CFTRSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL5530286 0.74 CFTR (0.55) CFTRSMN1; SMN2PKMPOLBALDH1A1

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-111088544-B Flame retardant, flame-retardant acrylic fiber and preparation method thereof 中国石油化工股份有限公司 2022-08-12 CN disclosed
CN-111088544-A Flame retardant, flame-retardant acrylic fiber and preparation method thereof 中国石油化工股份有限公司 2020-05-01 CN disclosed