SCHEMBL3480794

SCHEMBL3480794

COc1cc(N=Nc2cc(OCCCO)cc(C(C)(C)C)c2O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
GALR3 O60755 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 7/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CHEK1 O14757 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 5/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
PRKDC P78527 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
SCHEMBL9817551 0.87 KMT2A (0.38) SMN1; SMN2KMT2AHTTMEN1GALR3
SCHEMBL23636587 0.83 PSEN1 (0.37) SMN1; SMN2KMT2AHTTMEN1GALR3
SCHEMBL8397410 0.79 ALDH1A1 (0.43) SMN1; SMN2KMT2AHTTMEN1GALR3
SCHEMBL23636597 0.75 PSEN1 (0.39) SMN1; SMN2KMT2AHTTMEN1GALR3
SCHEMBL9514033 0.74 CA1 (0.34) SMN1; SMN2KMT2AHTTMEN1L3MBTL1
SCHEMBL13021497 0.72 MEN1 (0.42) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL5838052 0.71 CHEK1 (0.50) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL21956083 0.70 MAPT (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1CA1
SCHEMBL21956082 0.70 MAPT (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1CA1
SCHEMBL11876401 0.68 ALDH1A1 (0.41) SMN1; SMN2KMT2AHTTMEN1GALR3

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
US-7803359-B1 UV-absorbers for ophthalmic lens materials ALCON, INC. (CH) 2010-09-28 US disclosed