SCHEMBL28539291

SCHEMBL28539291

O=[PH](O)CCCCc1ccccc1.[AlH3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 2/20 0.45
ALOX5 P09917 2/20 0.44

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
SCHEMBL28910960 0.98 MAPT (0.53) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL2357339 0.98 MAPT (0.52) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL25331935 0.96 MAPT (0.55) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL25332105 0.96 MAPT (0.55) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL9357019 0.96 MAPT (0.55) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL7931539 0.96 MAPT (0.55) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL28529981 0.94 HDAC3 (0.50) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL3822270 0.92 HDAC3 (0.52) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL7931875 0.90 HDAC3 (0.50) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL20513970 0.85 KEAP1 (0.46) MAPTRXFP1HDAC1HDAC2HDAC3

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-112778511-A Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-05-11 CN disclosed
CN-107075097-B Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-02-05 CN disclosed