SCHEMBL16898400

SCHEMBL16898400

CC(C)(C)OC(=O)N1CCN(CCOCCOCCOCCOCCOCCN=[N+]=[N-])CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ EPHX2 P34913 7/20 0.37
▸ ACKR3 P25106 4/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35

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
SCHEMBL16898644 1.00 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL16898465 1.00 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL16898385 1.00 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL16898492 0.99 USP2 (0.39) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL16906830 0.90 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL23301354 0.87 TLR8 (0.42) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL14270252 0.87 USP2 (0.47) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL16899896 0.86 TLR8 (0.34) CHRM2CHRM1CHRM4CHRM3TLR8
SCHEMBL16899897 0.84 EPHX2 (0.33) TLR8EPHX2ACKR3DDB1CRBN
SCHEMBL16899915 0.84 MMP2 (0.42) —

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-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 — — WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 — — WO disclosed
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