SCHEMBL16906830

SCHEMBL16906830

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TERT O14746 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ VEGFA P15692 1/20 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
SCHEMBL16898400 0.90 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16898385 0.90 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16898465 0.90 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16898644 0.90 USP2 (0.38) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16898492 0.89 USP2 (0.39) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16898595 0.81 CRBN (0.32) CRBN
SCHEMBL14270252 0.81 USP2 (0.47) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL23922040 0.81 HPGD (0.40) USP2SMN1; SMN2HPGDTGFBR1
SCHEMBL30324928 0.81 HPGD (0.40) USP2SMN1; SMN2HPGDTGFBR1
SCHEMBL23301354 0.79 TLR8 (0.42) USP2SMN1; SMN2CHRM2CHRM4CHRM1

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
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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