SCHEMBL5555504

SCHEMBL5555504

CC(C)N(C(=O)C(O)C(O)C(=O)N(C(C)C)C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30
KCNA5 P22460 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6390168 1.00 TP53 (0.35) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL31093177 0.81 TP53 (0.42) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL9892480 0.81 TP53 (0.42) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL1647708 0.78 P2RX4 (0.31) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL11494903 0.73 ALDH1A1 (0.35) KCNA5
SCHEMBL7129705 0.73 LMNA (0.35)
SCHEMBL22648801 0.73
SCHEMBL28395101 0.73
SCHEMBL9750364 0.73 TDP1 (0.36) TSHR
SCHEMBL10871210 0.69 P2RX4 (0.33) TP53P2RX1P2RX3P2RX4P2RX7

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-1578742-A1 PROCESS FOR PREPARING OPTICALLY PURE ACTIVE COMPOUNDS ALTANA Pharma AG (DE) 2005-09-28 EP claimed
WO-2004052882-A1 PROCESS FOR PREPARING OPTICALLY PURE ACTIVE COMPOUNDS ALTANA PHARMA AG (DE) 2004-06-24 WO claimed
EP-1758889-A1 PROCESS FOR THE PREPARATION OF PYRIDIN-2-YLMETHYLSULPHINYL-1H-BENZIMIDAZOL COMPOUNDS Altana Pharma AG (DE) 2007-03-07 EP disclosed
WO-2005118569-A1 PROCESS FOR THE PREPARATION OF PYRIDIN-2-YLMETHYLSULPHINYL-1H-BENZIMIDAZOL COMPOUNDS ALTANA PHARMA AG (DE) 2005-12-15 WO disclosed