SCHEMBL9307808

SCHEMBL9307808

C=C(C(=O)O)C(C)C=C(CCCCC)C(=O)O.C=C(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.32
CES1 P23141 7/20 0.31
CES2 O00748 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3634989 0.84 AKR1B1 (0.39) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL9336189 0.83 GPR84 (0.41) FAAHMEN1CYP1A2KMT2AHSD17B10
SCHEMBL3467327 0.83 GPR84 (0.41) FAAHMEN1CYP1A2KMT2AHSD17B10
Methacrylic Acid SCHEMBL7696921 0.81 FNTA (0.37) MEN1KMT2AHSD17B10
SCHEMBL158481 0.80 APEX1 (0.36) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL8230756 0.74 GRIK1 (0.33) CES1CES2
Styrene SCHEMBL3968403 0.72 LMNA (0.43) CES1CES2MEN1KMT2A
SCHEMBL8139925 0.72 CAMK2A (0.34)
SCHEMBL1133777 0.70 ALDH1A1 (0.40) CES1
SCHEMBL8734090 0.69 GRIK1 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294401-A Blood gas exchange TERUMO KABUSHIKI KAISHA (JP) 1994-03-15 US disclosed
EP-0354959-B1 MEMBRANE TYPE ARTIFICIAL LUNG AND PRODUCTION THEREOF TERUMO KABUSHIKI KAISHA (JP) 1993-01-20 EP disclosed
EP-0354959-A1 MEMBRANE TYPE ARTIFICIAL LUNG AND PRODUCTION THEREOF TERUMO KABUSHIKI KAISHA (JP) 1990-02-21 EP disclosed