SCHEMBL9436600

SCHEMBL9436600

C=C(C)C(=O)OCCCCCCCCCCCN(C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.61
MAPT P10636 5/20 0.48
LSS P48449 2/20 0.40
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TNNI3 P19429 1/20 0.38
MAPK1 P28482 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL8748245 1.00 MMP14 (0.61) MMP14MAPTLSSPOLBAPEX1
SCHEMBL9551060 1.00 MMP14 (0.61) MMP14MAPTLSSPOLBAPEX1
SCHEMBL8748242 0.91 MMP14 (0.60) MMP14MAPTPOLBTDP1GAA
SCHEMBL9119582 0.91 MMP14 (0.60) MMP14MAPTPOLBTDP1GAA
SCHEMBL9650790 0.88 MAPT (0.48) MMP14MAPTLSSPOLBAPEX1
SCHEMBL9650794 0.88 MAPT (0.48) MMP14MAPTLSSPOLBAPEX1
SCHEMBL9551059 0.84 MAPT (0.52) MMP14MAPTLSSPOLBHTT
SCHEMBL9551567 0.84 MMP14 (0.41) MMP14MAPTPOLBAPEX1HTT
SCHEMBL9120610 0.84 MMP14 (0.59) MMP14MAPTLSSPOLBHTT
SCHEMBL9551568 0.84 MMP14 (0.41) MMP14MAPTPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474713-B1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS BASF AG (DE) 1994-09-07 EP disclosed
US-5204178-A Form films of uniform thickness and maximum anisotropy, which are stable to intense laser radiation BASF AKTIENGESELLSCHAFT (DE) 1993-04-20 US disclosed
EP-0474713-A1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS. BASF AG (DE) 1992-03-18 EP disclosed
WO-1990015087-A1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS BASF AKTIENGESELLSCHAFT (DE) 1990-12-13 WO disclosed