SCHEMBL40890

SCHEMBL40890

CC[N+](CC)(CC)C(C)OCCOCCOCCCc1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 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
PLA2G4B P0C869 1/20 0.42
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FOLH1 Q04609 1/20 0.39
MEP1B Q16820 2/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL16804661 0.81 PLA2G4B (0.55) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL16804658 0.81 MRGPRX4 (0.51) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL40891 0.81 MRGPRX4 (0.43) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL40246 0.79 CYP4F2 (0.49) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL15444416 0.76 KDM4E (0.48) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL27487853 0.74 CYP4F2 (0.47) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL2719733 0.72 CYP4F2 (0.41) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL2722077 0.72 CYP4F2 (0.41) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL40158 0.72 CYP4F2 (0.41) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL40210 0.72 CYP4F2 (0.41) MRGPRX4TP53PKMNFKB1NFKB2

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-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2591354-A1 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