SCHEMBL8767173

SCHEMBL8767173

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
PARP10 Q53GL7 2/20 0.36
PARP3 Q9Y6F1 1/20 0.36
HDAC2 Q92769 1/20 0.33
TSHR P16473 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
KMT2A Q03164 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP16 Q8N5Y8 1/20 0.31
PARP11 Q9NR21 1/20 0.31
PARP4 Q9UKK3 1/20 0.31
PRMT5 O14744 1/20 0.31
PRMT1 Q99873 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL718000 0.81 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TDP1TSHR
SCHEMBL17449657 0.78 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1TDP1TSHR
SCHEMBL1051273 0.76 ALDH1A1 (0.52) ALDH1A1TAS1R3TAS1R1TDP1PARP10
SCHEMBL14551186 0.76 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TDP1TSHR
Urea SCHEMBL7262146 0.75 ALDH1A1 (0.65) ALDH1A1TAS1R3TAS1R1TDP1PARP10
SCHEMBL4056676 0.74 KDM4E (0.49) KMT2AHPGD
SCHEMBL30053335 0.74 PARP10 (0.50) ALDH1A1TAS1R3TAS1R1TDP1PARP10
SCHEMBL440528 0.74 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1TDP1TSHR
SCHEMBL29030380 0.72 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TDP1PARP10
SCHEMBL17677417 0.72 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TDP1TSHR

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