SCHEMBL17459846

SCHEMBL17459846

O=C(O)c1cccc(CCC(O)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.54
GRM2 Q14416 1/20 0.52
GRM3 Q14832 1/20 0.52
MRGPRX4 Q96LA9 9/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
NR4A2 P43354 1/20 0.46

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
SCHEMBL17459834 0.88 FOLH1 (0.56) FOLH1GRM2GRM3MRGPRX4ALDH1A1
SCHEMBL27760814 0.86 FOLH1 (0.58) FOLH1GRM2GRM3MRGPRX4ALDH1A1
SCHEMBL850937 0.82 FOLH1 (0.53) FOLH1GRM2GRM3MRGPRX4ALDH1A1
SCHEMBL371526 0.82 FOLH1 (0.70) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL848808 0.80 FOLH1 (0.50) FOLH1GRM2GRM3MRGPRX4ALDH1A1
SCHEMBL17215250 0.80 FOLH1 (0.50) FOLH1GRM2GRM3MRGPRX4ALDH1A1
SCHEMBL2278468 0.79 FOLH1 (0.61) FOLH1MRGPRX4ALDH1A1NPSR1CYP2D6
SCHEMBL30395109 0.78 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL1817886 0.78 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL16559877 0.78 FOLH1 (0.66) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A

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-3172211-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-05-31 EP disclosed
WO-2016011930-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-28 WO disclosed