SCHEMBL7440860

SCHEMBL7440860

CC(N)=C(CCCl)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.34
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL7440851 1.00 GRIK1 (0.34) GRIK1THRBFNTAFNTBPGGT1B
SCHEMBL7444155 0.85 FNTA (0.42) GRIK1THRBFNTAFNTBPGGT1B
SCHEMBL7444148 0.85 FNTA (0.42) GRIK1THRBFNTAFNTBPGGT1B
SCHEMBL11105350 0.80 GRIK1 (0.41) GRIK1THRBFNTAFNTBPGGT1B
Chloromethane SCHEMBL10608041 0.79 FNTA (0.41) GRIK1THRBFNTAFNTBPGGT1B
SCHEMBL10884922 0.79 TSHR (0.39) THRBFNTAFNTBPGGT1BLMNA
SCHEMBL10882656 0.79 TSHR (0.39) THRBFNTAFNTBPGGT1BLMNA
SCHEMBL10882662 0.79 TSHR (0.39) THRBFNTAFNTBPGGT1BLMNA
SCHEMBL3133846 0.78 HDAC3 (0.43) GRIK1THRBFNTAFNTBPGGT1B
SCHEMBL12490349 0.78 HDAC3 (0.43) GRIK1THRBFNTAFNTBPGGT1B

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
US-5580871-A FOR TREATMENT OF CONGESTIVE HEART FAILURE THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-03 US disclosed
US-5432188-A Treating congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-11 US disclosed
US-5166147-A Congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 US disclosed