SCHEMBL23566949

SCHEMBL23566949

CSSCCC(=O)NCCCC(=O)OC1CCCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.49
▸ EPHX2 P34913 4/20 0.42
▸ EPHX1 P07099 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TPSAB1 Q15661 3/20 0.33
▸ TPSD1 Q9BZJ3 3/20 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
SCHEMBL23566950 0.79 EPHX2 (0.40) NAAAEPHX2EPHX1SMN1; SMN2
SCHEMBL23323338 0.79 EPHX2 (0.40) NAAAEPHX2EPHX1SMN1; SMN2
SCHEMBL23323337 0.79 EPHX2 (0.40) NAAAEPHX2EPHX1SMN1; SMN2
SCHEMBL23552243 0.79 EPHX2 (0.40) NAAAEPHX2EPHX1SMN1; SMN2
SCHEMBL18811280 0.79 TSHR (0.45) EPHX2SMN1; SMN2ALDH1A1TSHR
SCHEMBL11252838 0.74 NAAA (0.62) NAAAEPHX2EPHX1SMN1; SMN2HTT
SCHEMBL11170145 0.74 NAAA (0.56) NAAAEPHX1SMN1; SMN2HTTCYP2C19
SCHEMBL24366798 0.73 NAAA (0.62) NAAAEPHX2EPHX1SMN1; SMN2HTT
SCHEMBL18681693 0.72 NAAA (0.73) NAAAEPHX1HTTALDH1A1
SCHEMBL22996788 0.72 NAAA (0.52) NAAAEPHX2EPHX1SMN1; SMN2HTT

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
WO-2023150392-A1 INTRANASAL ADMINISTRATION OF N-ACETYLCYSTEINE AND USES THEREOF Neuronasal, Inc. (US) 2023-08-10 — — WO disclosed
WO-2021127541-A1 METHODS OF TREATING BRAIN DISORDERS Neuronasal, Inc. (US) 2021-06-24 — — WO disclosed
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