SCHEMBL8910013

SCHEMBL8910013

CCC(C)OP(=O)(O)CC(N)=S

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.33
METAP1 P53582 1/20 0.32

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
SCHEMBL5859731 0.83 LAP3 (0.34) LAP3METAP1
SCHEMBL6930150 0.77 MMP1 (0.34) LAP3METAP1
SCHEMBL2714777 0.77 MMP1 (0.34) LAP3METAP1
SCHEMBL2118428 0.76 LAP3 (0.38) LAP3METAP1
SCHEMBL776263 0.76 LAP3 (0.36) LAP3METAP1
Hydrochloric Acid SCHEMBL13269112 0.75 LAP3 (0.37) LAP3METAP1
SCHEMBL16537885 0.74 MMP1 (0.40)
SCHEMBL1251447 0.74 PPARD (0.35) LAP3METAP1
SCHEMBL11745106 0.74 LAP3 (0.34) LAP3METAP1
SCHEMBL787731 0.73 ALDH1A1 (0.39) LAP3METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637720-A Intermediate for (E)-4-[[3-[2-(4-cycloalkyl-2-thiazolyl)ethenyl]phenyl]amino-2,2-alkyldiyl-4-oxobutanoic acids HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
WO-1996008479-A1 A PROCESS OF MAKING (E)-4-[3-[2-(4-CYCLOALKYL-2-THIAZOLYL)ETHENYL]PHENYL]AMINO-2,2-ALKYLDIYL-4-OXOBUTANOIC ACID F. HOFFMANN-LA ROCHE AG (CH) 1996-03-21 WO disclosed