SCHEMBL4470305

SCHEMBL4470305

CCCC/C(C(=O)O)=C(\C#N)C(=O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
THRB P10828 1/20 0.39
PGGT1B P53609 1/20 0.39
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.32
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 2/20 0.31
AKR1B1 P15121 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
GPR84 Q9NQS5 3/20 0.30
HMGCR P04035 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL21525711 0.95 FNTA (0.45) FNTAFNTBTHRBPGGT1BFFAR1
SCHEMBL21525719 0.94 FNTA (0.47) FNTAFNTBTHRBPGGT1BFFAR1
SCHEMBL21525694 0.90 TP53 (0.33) FNTAFNTBTHRBPGGT1BTP53
SCHEMBL2404847 0.87 FNTA (0.35) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL4475756 0.83 TP53 (0.31) TP53
SCHEMBL4470308 0.74 CES1 (0.33) CES1CES2FFAR1FFAR4ALDH1A1
SCHEMBL5453720 0.73 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL4475762 0.73 TP53 (0.31) TP53
SCHEMBL18606216 0.70 FNTA (0.44) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL6440025 0.70 CES1 (0.39) FNTAFNTBTHRBPGGT1BCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3335738-B1 NEW TYPE CYANOACRYLATE MEDICAL ADHESIVE AND PREPARATION METHOD AND USE THEREOF SHEN WEI (CN) 2019-11-06 EP claimed
EP-1317294-B2 ABSORBABLE ADHESIVE COMPOSITIONS CLOSURE MEDICAL CORP (US) 2009-09-02 EP claimed
EP-1317294-B1 ABSORBABLE ADHESIVE COMPOSITIONS CLOSURE MEDICAL CORP (US) 2005-03-16 EP claimed