SCHEMBL20500071

SCHEMBL20500071

CCCCCCCCC=CCCCCCCCCOC(C)(O)CC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.49
LPAR2 Q9HBW0 3/20 0.49
LPAR1 Q92633 2/20 0.49
FAAH O00519 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL20500069 1.00 LPAR3 (0.49) LPAR3LPAR2LPAR1FAAHALDH1A1
SCHEMBL4939579 0.89 LPAR3 (0.43) LPAR3LPAR2LPAR1
SCHEMBL16311960 0.81 LPAR2 (0.50) LPAR3LPAR2LPAR1FAAHTRPV1
SCHEMBL18184028 0.81 LPAR2 (0.50) LPAR3LPAR2LPAR1FAAHTRPV1
SCHEMBL4751906 0.80 TSHR (0.37) LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL19098225 0.79 LPAR3 (0.46) LPAR3LPAR2LPAR1ALDH1A1CNR1
SCHEMBL19098223 0.79 LPAR2 (0.49) LPAR3LPAR2LPAR1FAAHALDH1A1
SCHEMBL3181748 0.79 LPAR3 (0.49) LPAR3LPAR2LPAR1FAAHALDH1A1
SCHEMBL21804903 0.77 ALDH1A1 (0.49) ALDH1A1CNR1CNR2TRPV1
SCHEMBL16311959 0.76 ALDH1A1 (0.51) ALDH1A1CNR1CNR2TRPV1

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
EP-3609534-A1 BROAD SPECTRUM INFLUENZA VIRUS VACCINE ModernaTX, Inc. (US) 2020-02-19 EP disclosed
WO-2018170245-A1 BROAD SPECTRUM INFLUENZA VIRUS VACCINE MODERNATX, INC. (US) 2018-09-20 WO disclosed