SCHEMBL40066

SCHEMBL40066

O=C(O)c1cccc(CC#CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.56
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
MEP1B Q16820 2/20 0.45
KMT2A Q03164 1/20 0.45
NR4A2 P43354 1/20 0.45
MRGPRX4 Q96LA9 4/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEP1A Q16819 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL576723 0.83 FOLH1 (0.56) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL40546 0.81 CYP4F2 (0.63) FOLH1HIF1AKMT2AMRGPRX4SMN1; SMN2
SCHEMBL45509 0.81 FOLH1 (0.50) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL7282885 0.80 FOLH1 (0.61) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL2705263 0.79 FOLH1 (0.59) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL8463786 0.79 FOLH1 (0.59) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL31044565 0.79 FOLH1 (0.59) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL29471974 0.79 FOLH1 (0.59) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL41062 0.79 FOLH1 (0.47) FOLH1NR4A2MRGPRX4TP53PKM
SCHEMBL129182 0.77 FOLH1 (0.68) FOLH1CYP2D6CYP2C9HIF1AANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed