SCHEMBL11345384

SCHEMBL11345384

C=C(Br)P(=O)(O)OC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.35
METAP1 P53582 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL11340279 0.80 LAP3 (0.35) LAP3METAP1MMP1MMP2MMP3
SCHEMBL11324553 0.78 MMP1 (0.37) LAP3MMP1MMP2MMP3
SCHEMBL11245329 0.78 LAP3 (0.34) LAP3MMP1MMP2MMP3
SCHEMBL11338698 0.76 LAP3 (0.32) LAP3
SCHEMBL1097634 0.75 MMP1 (0.36) LAP3METAP1MMP1MMP2MMP3
SCHEMBL3001745 0.73 MMP1 (0.35) LAP3METAP1MMP1MMP2MMP3
SCHEMBL485995 0.73
SCHEMBL497286 0.73 LAP3 (0.39) LAP3METAP1MMP1MMP2MMP3
SCHEMBL19245350 0.72 TRPM8 (0.35) LAP3METAP1MMP1MMP2MMP3
SCHEMBL8215925 0.72 SMPD1 (0.41)

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-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed