SCHEMBL29201324

SCHEMBL29201324

CCOCCN(C)CCOCCOC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.33
SCN9A Q15858 1/20 0.33
SLC6A4 P31645 3/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL22503177 0.91 PIK3CD (0.48) PIK3CDALDH1A1TSHR
SCHEMBL19762046 0.91 PIK3CD (0.46) PIK3CDALDH1A1TSHRSCN9ASLC6A4
SCHEMBL18811754 0.91 PIK3CD (0.46) PIK3CDALDH1A1TSHRSCN9ASLC6A4
SCHEMBL9972867 0.91 ALDH1A1 (0.39) PIK3CDALDH1A1TSHRSLC6A4LMNA
SCHEMBL23101786 0.88 PIK3CD (0.50) PIK3CDALDH1A1SCN9ASLC6A4LMNA
SCHEMBL22503168 0.88 PIK3CD (0.50) PIK3CDALDH1A1SCN9ASLC6A4LMNA
SCHEMBL4391165 0.85 ALDH1A1 (0.43) PIK3CDALDH1A1TSHRSLC6A4LMNA
SCHEMBL19594746 0.84 PIK3CD (0.39) PIK3CDALDH1A1SLC6A4KDM4E
SCHEMBL17643406 0.84 PIK3CD (0.41) PIK3CDALDH1A1TSHRSCN9ASLC6A4
SCHEMBL24592258 0.84 BLM (0.37) ALDH1A1TSHRKDM4EMEN1KMT2A

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-117813334-A Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same 广荣化学株式会社 2024-04-02 CN disclosed