SCHEMBL27601966

SCHEMBL27601966

COC(=O)C[C@H](NC(=O)c1ccc2occc2c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.65
TAS1R1 Q7RTX1 2/20 0.65
HTR1B P28222 1/20 0.49
CTNNB1 P35222 6/20 0.47
WNT3A P56704 6/20 0.47
PIN1 Q13526 3/20 0.46
NAMPT P43490 1/20 0.44
CHRNA7 P36544 3/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL2821662 0.87 TAS1R3 (0.60) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL2819877 0.84 TAS1R3 (0.55) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL20662748 0.81 TAS1R3 (0.78) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL10226453 0.79 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL702029 0.79 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL4202913 0.79 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL5210394 0.77 CA2 (0.49) CA1CA2
SCHEMBL13516717 0.77 CTNNB1 (0.61) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL30791009 0.77 CTNNB1 (0.61) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL5118660 0.77 CA2 (0.49) CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 CN disclosed
CN-101519386-A High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-02 CN disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 CN disclosed