SCHEMBL8947154

SCHEMBL8947154

COC(=O)CNC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.60
CHRNA4 P43681 3/20 0.60
CHRNB4 P30926 2/20 0.60
CHRNA3 P32297 2/20 0.60
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 2/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.50
PPARG P37231 1/20 0.48
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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
SCHEMBL437167 0.88 PDCD1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3TAS1R3
SCHEMBL7697059 0.87 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3TAS1R3
SCHEMBL1649572 0.83 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3GAA
SCHEMBL11007801 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3GAA
SCHEMBL7217604 0.80 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3TAS1R3
SCHEMBL13163159 0.79 HPGD (0.58) MAPK1LMNAKMT2AMEN1
SCHEMBL15297335 0.78 HPGD (0.56) GAALMNAKMT2AMEN1
SCHEMBL17450379 0.78 HPGD (0.49) GAAHTTLMNAKMT2AMEN1
SCHEMBL14067301 0.78 MEN1 (0.45) GAAMAPK1KMT2AMEN1KDM4E
SCHEMBL2491198 0.78 HPGD (0.58) POLBLMNAKMT2A

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
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed