SCHEMBL7912997

SCHEMBL7912997

N#CC(Cl)(Cl)Cl.N#CCCOP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.39
LPAR2 Q9HBW0 3/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
LPAR1 Q92633 2/20 0.34

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
SCHEMBL22652 0.88
Water SCHEMBL6908198 0.88 LPAR3 (0.41) LPAR3LPAR2ALDH1A1LPAR1
SCHEMBL6653137 0.86 LPAR3 (0.40) LPAR3LPAR2ALDH1A1LPAR1
Water SCHEMBL11512537 0.86 LPAR3 (0.40) LPAR3LPAR2ALDH1A1LPAR1
SCHEMBL6998234 0.86 LPAR3 (0.40) LPAR3LPAR2ALDH1A1LPAR1
SCHEMBL28830258 0.86 LPAR3 (0.40) LPAR3LPAR2ALDH1A1LPAR1
SCHEMBL7216239 0.86 LPAR3 (0.40) LPAR3LPAR2ALDH1A1LPAR1
Alcohol SCHEMBL2352329 0.80 LPAR3 (0.45) LPAR3LPAR2TSHRLPAR1
SCHEMBL8445541 0.78 LPAR3 (0.35) LPAR3LPAR2LPAR1
SCHEMBL29285247 0.75

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
US-6306598-B1 BIOPOLYMERS OF POLYMERIZED SELF-ASSEMBLING LIPID MONOLAYERS AND NUCLEIC ACID LIGANDS; BINDING OF ANALYTE TO LIGAND CAUSES CONFORMATIONAL CHANGE RESULTING IN VISIBLE COLOR CHANGE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-23 US disclosed