SCHEMBL4787319

SCHEMBL4787319

CCC/C(=C(/C)C(N)=O)N(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL7100700 0.83 FNTA (0.36) CES2CES1
Sulfuric Acid SCHEMBL5663684 0.78 ALDH1A1 (0.32) CES2CES1
SCHEMBL33996 0.76 ALDH1A1 (0.37) CES2CES1
SCHEMBL151388 0.76 ALDH1A1 (0.37) CES2CES1
SCHEMBL10889419 0.76 CES2 (0.31) CES2CES1
SCHEMBL2210988 0.75 LMNA (0.37) CES2CES1
Hydrochloric Acid SCHEMBL14237669 0.75 ALDH1A1 (0.35) CES2CES1
SCHEMBL736602 0.75 LMNA (0.37) CES2CES1
Hydrochloric Acid SCHEMBL5665875 0.75 ALDH1A1 (0.35) CES2CES1
Chloromethane SCHEMBL21631051 0.73 TSHR (0.34) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099154-A1 METHODS OF COMPLETING WELLS FOR CONTROLLING WATER AND PARTICULATE PRODUCTION HALLIBURTON ENERGY SERVICES, INC. (US) 2008-08-21 WO disclosed