SCHEMBL8767176

SCHEMBL8767176

C=Cc1ccc(C=COC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL718002 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP19A1MAPT
SCHEMBL22034105 0.80 MAPT (0.49) ALDH1A1TDP1MAPTNPC1NFKB1
Urea SCHEMBL7262146 0.76 ALDH1A1 (0.65) ALDH1A1TDP1TSHRICAM1SELE
SCHEMBL1883642 0.76 KMT2A (0.47) ALDH1A1TDP1TSHRICAM1SELE
SCHEMBL14941432 0.74 ALDH1A1 (0.48) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL14941433 0.74 ALDH1A1 (0.48) ALDH1A1TDP1MAPTNPC1RAB9A
Styrene SCHEMBL9350030 0.73 ALDH1A1 (0.48) ALDH1A1TDP1TSHRMAPTKMT2A
Acrylamide SCHEMBL9244663 0.72 ALDH1A1 (0.58) ALDH1A1TDP1TSHRICAM1SELE
SCHEMBL19183191 0.72 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP19A1MAPT
SCHEMBL11712083 0.72 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611367-B1 NOVEL UV CURABLE CROSSLINKING AGENTS USEFUL IN COPOLYMERIZATION BAUSCH & LOMB (US) 1997-06-25 EP disclosed
US-5512205-A BIOMEDICAL ARTICLES, CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 1996-04-30 US disclosed
US-5449729-A Vinyl monomer and crosslinking agent and acrylates with styrene BAUSCH & LOMB INCORPORATED (US) 1995-09-12 US disclosed
EP-0611367-A1 NOVEL UV CURABLE CROSSLINKING AGENTS USEFUL IN COPOLYMERIZATION. BAUSCH & LOMB (US) 1994-08-24 EP disclosed
US-5310779-A Compatible crosslinkers having vinyl-, acrylic-and/or styrenyl-groups to crosslink incompatible unsaturated addition monomers; contact lens; molding materials BAUSCH & LOMB INCORPORATED (US) 1994-05-10 US disclosed
WO-1993009084-A1 NOVEL UV CURABLE CROSSLINKING AGENTS USEFUL IN COPOLYMERIZATION BAUSCH & LOMB INCORPORATED (US) 1993-05-13 WO disclosed