SCHEMBL40068

SCHEMBL40068

CNCCN1CCCC1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
NPC1 O15118 1/20 0.34
FKBP1A P62942 1/20 0.34
NR1I2 O75469 1/20 0.34
HSD11B1 P28845 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL40069 1.00 LTA4H (0.40) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL18851364 0.86 EPHX1 (0.46) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL18851365 0.86 EPHX1 (0.46) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL4333780 0.84 HTT (0.46) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL4333785 0.84 HTT (0.46) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL16681877 0.84 KCNK3 (0.42) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL3337396 0.81 OPRD1 (0.39) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL3337402 0.81 OPRD1 (0.39) LTA4HSMN1; SMN2HRH3ADORA3ADORA2A
SCHEMBL7416557 0.80 HSD17B10 (0.40) SMN1; SMN2HRH3ADORA3ADORA2AADORA2B
SCHEMBL2607025 0.80 HSD17B10 (0.40) SMN1; SMN2HRH3ADORA3ADORA2AADORA2B

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