SCHEMBL15760474

SCHEMBL15760474

CC(C)(C)C(=O)OCCOP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 4/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BTN3A1 O00481 5/20 0.37
ALDH1A1 P00352 1/20 0.36
PRKCA P17252 1/20 0.36
ENO1 P06733 1/20 0.33
TPI1 P60174 1/20 0.33

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
SCHEMBL22038812 0.84 LPAR3 (0.38) LPAR3LPAR2LPAR1TPI1
SCHEMBL15858719 0.84 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL116985 0.84 LPAR3 (0.42) LPAR3LPAR2LPAR1TPI1
SCHEMBL4258156 0.82 POLB (0.48) POLBGAANPSR1BTN3A1ALDH1A1
SCHEMBL19862581 0.81 BTN3A1 (0.37) LPAR3LPAR2LPAR1POLBGAA
SCHEMBL10378801 0.81 BTN3A1 (0.49) LPAR3LPAR2LPAR1POLBGAA
SCHEMBL11941091 0.80 LPAR3 (0.39) LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL12575375 0.80 LPAR3 (0.39) LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL12938645 0.80 LPAR3 (0.39) LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL15858734 0.80 LPAR3 (0.39) LPAR3LPAR2LPAR1ALDH1A1

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-20140155589-A1 INHIBITORY FIBER AGAINST VIRULENCE FACTORS PRODUCTION AND METHOD FOR PRODUCING SAME KURASHIKI BOSEKI KABUSHIKI KAISHA (JP) 2014-06-05 US disclosed