SCHEMBL16485544

SCHEMBL16485544

NCCC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA2 P00918 5/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA4 P22748 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CA14 Q9ULX7 4/20 0.36
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TLR2 O60603 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL18885626 0.92 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL19643024 0.91 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL19658311 0.91 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL15773229 0.88 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL19643062 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL19016246 0.87 HPGD (0.41) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL1578132 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL15744056 0.87 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL16574886 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHTTCA2CA12
SCHEMBL30360564 0.86 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTCYP3A4CYP2D6

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-2015155998-A1 ANTI-HER3 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-15 — — WO disclosed
WO-2014057687-A1 ANTIBODY-DRUG CONJUGATE 第一三共株式会社 (JP) 2014-04-17 — — WO disclosed
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