SCHEMBL28599744

SCHEMBL28599744

O=C1c2ccccc2C(=O)N1CCCCCCCCCCCO[PH](=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HDAC8 Q9BY41 3/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL15973413 0.98 SMN1; SMN2 (0.54) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL29119234 0.94 SMN1; SMN2 (0.59) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL11190695 0.88 TDP1 (0.55) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL28599742 0.88 TDP1 (0.55) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL15973411 0.86 MAPT (0.57) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL29119230 0.81 MAPT (0.63) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL10854464 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL8862728 0.80 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL6777483 0.80 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL8862878 0.80 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056536-A Flexible insulation articles and methods of making same 3M创新有限公司 2021-06-29 — — CN disclosed
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