SCHEMBL41062

SCHEMBL41062

CC(=O)OCC#CCc1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
MRGPRX4 Q96LA9 10/20 0.45
TP53 P04637 2/20 0.45
PKM P14618 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
NR4A2 P43354 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
SCHEMBL39776 0.81 FOLH1 (0.45) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL40066 0.79 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL576723 0.79 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL6903869 0.79 ALDH1A1 (0.65) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL45509 0.77 FOLH1 (0.50) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL46927 0.76 FOLH1 (0.53) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL7282885 0.73 FOLH1 (0.61) FOLH1MRGPRX4NR4A2
SCHEMBL2705263 0.72 FOLH1 (0.59) FOLH1MRGPRX4NR4A2
SCHEMBL29471974 0.72 FOLH1 (0.59) FOLH1MRGPRX4NR4A2
SCHEMBL31044565 0.72 FOLH1 (0.59) FOLH1MRGPRX4TP53NFKB1NFKB2

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