SCHEMBL8677288

SCHEMBL8677288

C=C(C)C(=O)CCOCCOP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.40
LPAR3 Q9UBY5 8/20 0.36
LPAR2 Q9HBW0 6/20 0.36
LPAR1 Q92633 4/20 0.36
THRB P10828 1/20 0.34
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
PEPD P12955 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
SCHEMBL1926070 0.89 BTN3A1 (0.48) BTN3A1LPAR3LPAR2LPAR1LPAR5
SCHEMBL4671069 0.81 LPAR3 (0.47) BTN3A1LPAR3LPAR2LPAR1LPAR5
SCHEMBL7619686 0.80 LPAR3 (0.50) BTN3A1LPAR3LPAR2LPAR1LPAR5
SCHEMBL4066760 0.79 THRB (0.59) BTN3A1LPAR3LPAR2LPAR1THRB
SCHEMBL5424148 0.79 THRB (0.59) BTN3A1LPAR3LPAR2LPAR1THRB
SCHEMBL6690732 0.79 THRB (0.59) BTN3A1LPAR3LPAR2LPAR1THRB
SCHEMBL2641082 0.79 THRB (0.59) BTN3A1LPAR3LPAR2LPAR1THRB
SCHEMBL4066752 0.79 THRB (0.59) BTN3A1LPAR3LPAR2LPAR1THRB
SCHEMBL3680097 0.79 LPAR3 (0.53) BTN3A1LPAR3LPAR2LPAR1LPAR5
SCHEMBL7622214 0.79 LPAR3 (0.53) BTN3A1LPAR3LPAR2LPAR1LPAR5

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-5733949-A Antimicrobial adhesive composition for dental uses KURARAY CO., LTD. (JP) 1998-03-31 US claimed