SCHEMBL45509

SCHEMBL45509

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.50
MRGPRX4 Q96LA9 5/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEP1B Q16820 2/20 0.43
MEP1A Q16819 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL576723 0.81 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL40066 0.81 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL29630981 0.77 FOLH1 (0.59) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL168738 0.77 FOLH1 (0.59) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL41062 0.77 FOLH1 (0.47) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL7751231 0.76 KCNH2 (0.59) SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL15067497 0.76 FOLH1 (0.58) FOLH1MRGPRX4TP53PKMNFKB1
Hydrochloric Acid SCHEMBL29690742 0.76 FOLH1 (0.58) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL7282885 0.75 FOLH1 (0.61) FOLH1MRGPRX4MEP1BMEP1ACYP2D6
SCHEMBL39776 0.74 FOLH1 (0.45) FOLH1MRGPRX4TP53PKMNFKB1

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