SCHEMBL7170680

SCHEMBL7170680

C=CCNC(=O)C(=C)CF

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.37
FAAH O00519 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 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
SCHEMBL1077999 0.84 TSHR (0.45) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL30285352 0.83 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL45240 0.80 TSHR (0.45) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL30961 0.78 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL9047033 0.78 ALOX15 (0.48) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4952777 0.78 TSHR (0.56) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL5708695 0.77
SCHEMBL5140971 0.77 TSHR (0.42) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL8003440 0.77 ALDH1A1 (0.45) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
Acrylamide SCHEMBL28226782 0.76 ALDH1A1 (0.41) TSHRSMN1; SMN2MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512205-A BIOMEDICAL ARTICLES, CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 1996-04-30 US claimed
US-6503689-B2 Crosslinked polymeric particles including one or more chromophore units such as anthracenyl methacrylate; relief images SHIPLEY COMPANY, L.L.C. 2003-01-07 US disclosed
US-6268467-B1 Hydroxy or amino terminated hydrophilic polymers BAUSCH & LOMB INCORPORATED 2001-07-31 US disclosed
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