SCHEMBL14625832

SCHEMBL14625832

NCC(O)COc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.64
MAPK1 P28482 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GAA P10253 1/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL18543110 0.90 ABCB1 (0.71) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL15450588 0.86 CYP1A2 (0.60) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL2384639 0.86 ABCB1 (0.66) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL10313058 0.84 ABCB1 (0.64) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4197347 0.84 ABCB1 (0.68) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL15188957 0.84 ABCB1 (0.64) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL9075178 0.83 ABCB1 (0.62) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL2277722 0.83 ABCB1 (0.67) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL19648495 0.83 ABCB1 (0.63) ABCB1MAPK1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL2021875 0.83 L3MBTL1 (0.61) SMN1; SMN2CYP2D6LMNAHTTMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906979-B2 Macrophotoinitiators BASF SE (DE) 2014-12-09 US disclosed
US-8637585-B2 Silsesquioxane photoinitiators BASF SE (DE) 2014-01-28 US disclosed
WO-2007011731-A2 NANOTEXTURED SURFACES INNOVATIVE SURFACE TECHNOLOGIES, LLC (US) 2007-01-25 WO disclosed