SCHEMBL1246882

SCHEMBL1246882

COc1cc(C=C(C)[N+](=O)[O-])cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
HTT P42858 2/20 0.50
FBP1 P09467 2/20 0.50
GAA P10253 1/20 0.50
EGFR P00533 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR35 Q9HC97 1/20 0.49
TUBB1 Q9H4B7 4/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49

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
SCHEMBL1246880 1.00 PTGS2 (0.51) PTGS2HTTFBP1GAAEGFR
SCHEMBL25182595 0.87 FBP1 (0.50) PTGS2HTTFBP1GAAEGFR
SCHEMBL25179132 0.85 FBP1 (0.49) PTGS2HTTFBP1GAAEGFR
SCHEMBL29896434 0.84 EGFR (0.43) PTGS2HTTFBP1GAAEGFR
SCHEMBL25186178 0.83 MAPT (0.49) PTGS2HTTFBP1GAAEGFR
SCHEMBL31238218 0.82 ALDH1A1 (0.64) PTGS2HTTFBP1GAAEGFR
SCHEMBL1245811 0.82 ALDH1A1 (0.64) PTGS2HTTFBP1GAAEGFR
SCHEMBL1245812 0.82 ALDH1A1 (0.64) PTGS2HTTFBP1GAAEGFR
SCHEMBL29896425 0.82 EGFR (0.42) PTGS2HTTFBP1GAAEGFR
SCHEMBL25173453 0.81 EGFR (0.48) PTGS2HTTFBP1GAAEGFR

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-7947849-B2 UV-absorbers for ophthalmic lens materials ALCON, INC. (CH) 2011-05-24 US disclosed
US-20110046259-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2011-02-24 US disclosed
US-7884228-B1 intraocular lens comprising 2-(2-methoxy-4-(2-nitroprop-1-enyl)phenoxy)ethyl methacrylate monomeric ultraviolet light absorber; particularly useful in implantable lenses, such as intraocular lenses; copolymerizable ALCON, INC. (CH) 2011-02-08 US disclosed