SCHEMBL8767185

SCHEMBL8767185

C=COC(=O)NCCNC(=O)C(=C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 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
SCHEMBL13055391 0.84 TSHR (0.35) ACHEALDH1A1
SCHEMBL316224 0.79 TGFBR1 (0.41) ALDH1A1TGFBR1
SCHEMBL8766924 0.77 THRB (0.33) ACHE
SCHEMBL8767661 0.77 THRB (0.43) ACHEALDH1A1
SCHEMBL3686778 0.76
SCHEMBL21577394 0.76 SMN1; SMN2 (0.41) ACHEALDH1A1
SCHEMBL8767181 0.76 TSHR (0.32) ALDH1A1
SCHEMBL16857583 0.76 TET2 (0.39) ALDH1A1TGFBR1
SCHEMBL21577395 0.75 THRB (0.41) ACHEALDH1A1
SCHEMBL21577400 0.75 TSHR (0.48) ALDH1A1

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 5 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
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