SCHEMBL1973240

SCHEMBL1973240

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 3/20 0.34
CES1 P23141 2/20 0.32
CES2 O00748 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
SCHEMBL7635482 1.00 ALDH1A1 (0.35) ALDH1A1TSHRAPEX1CES1CES2
SCHEMBL7628332 0.94 GPR84 (0.38) ALDH1A1TSHRAPEX1
SCHEMBL1973730 0.94 GPR84 (0.38) ALDH1A1TSHRAPEX1
SCHEMBL147781 0.88 CES1 (0.40) ALDH1A1TSHRAPEX1CES1CES2
SCHEMBL905414 0.88 CES1 (0.40) ALDH1A1TSHRAPEX1CES1CES2
SCHEMBL147780 0.88 CES1 (0.40) ALDH1A1TSHRAPEX1CES1CES2
SCHEMBL5885411 0.83 APEX1 (0.37) ALDH1A1TSHRAPEX1CES1CES2
SCHEMBL2153422 0.83 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL1275312 0.83 AKR1B1 (0.45) ALDH1A1TSHRAPEX1CES1CES2
SCHEMBL1275314 0.83 AKR1B1 (0.45) ALDH1A1TSHRAPEX1CES1CES2

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-1803473-B1 Adhesive including medicament UNIV LOMA LINDA MED (US) 2011-06-22 EP claimed
EP-1409033-B1 ADHESIVE INCLUDING MEDICAMENT UNIV LOMA LINDA MED (US) 2006-12-27 EP claimed
EP-1100553-B1 MOISTURE-CURABLE ADHESIVE SUTURE STRIP ADVANCED THERAPEUTIC TECHNOLOG (CA) 2002-06-26 EP claimed