SCHEMBL11786804

SCHEMBL11786804

C=CCOP(=O)(O)CC(=C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL11667403 0.78 MEN1 (0.41) LPAR2LPAR3
SCHEMBL4064422 0.77
SCHEMBL11807456 0.76 MAPT (0.32) LPAR2LPAR3
SCHEMBL4410387 0.74
SCHEMBL436759 0.74 LPAR2 (0.36) FNTAFNTBLPAR2LPAR3
SCHEMBL11308533 0.72 BTN3A1 (0.31) BTN3A1FNTAFNTBLPAR2LPAR3
SCHEMBL11572013 0.72
SCHEMBL10384662 0.72
SCHEMBL27809982 0.72 LPAR2 (0.35) LPAR2LPAR3
SCHEMBL2358290 0.72 FNTA (0.46) FNTAFNTBLPAR2LPAR3

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-4017564-A NICKEL OR COBALT CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US disclosed