SCHEMBL23229657

SCHEMBL23229657

CCCC(C)(C)CCCC(C)N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SPHK1 Q9NYA1 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 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
SCHEMBL14721097 0.84 OPRM1 (0.32) OPRM1TP53SPHK1SLC1A3SLC1A2
SCHEMBL12968369 0.83 OPRM1 (0.60) OPRM1TP53ALDH1A1TDP1SPHK1
SCHEMBL21989948 0.81 MEN1 (0.44) ALDH1A1TDP1
SCHEMBL9065957 0.79 OPRM1 (0.42) OPRM1TP53ALDH1A1TDP1GABRP
SCHEMBL1658449 0.79 TSHR (0.35) SPHK1
SCHEMBL9437052 0.78 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL27253387 0.77 OPRM1 (0.41) OPRM1TP53ALDH1A1TDP1GABRP
SCHEMBL8389001 0.77 OPRM1 (0.41) OPRM1TP53ALDH1A1TDP1GABRP
SCHEMBL20444730 0.77 MEN1 (0.37) CA1CA2
SCHEMBL17607454 0.77 MEN1 (0.33)

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-2021070800-A1 ADHESIVE COMPOSITION 住友化学株式会社 2021-04-15 WO disclosed
WO-2021070799-A1 ADHESIVE AGENT COMPOSITION 住友化学株式会社 2021-04-15 WO disclosed