SCHEMBL5756531

SCHEMBL5756531

O=C(NCC(NC(=O)[C@@H]1CSCN1)C(Cc1ccc(OCc2ccccc2)cc1)SCC1CCCCC1)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PTPN1 P18031 17/20 0.39
PTPN2 P17706 2/20 0.35
CDC25B P30305 2/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
PSMB1 P20618 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB10 P40306 1/20 0.33
PSMB2 P49721 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
SCHEMBL5755208 0.92 CACNA1B (0.36) HTR2CHTR2BPTPN1
SCHEMBL5754339 0.91 ALDH1A1 (0.35)
SCHEMBL5757143 0.91 ALDH1A1 (0.35)
SCHEMBL5753816 0.89 NPC1 (0.37)
SCHEMBL5753832 0.87 CACNA1B (0.36) HTR2CHTR2B
SCHEMBL5752525 0.87 BACE1 (0.32)
SCHEMBL5753443 0.86 GSK3B (0.33)
SCHEMBL5753219 0.85 ALDH1A1 (0.34)
SCHEMBL5754373 0.84 MAPT (0.32)
SCHEMBL5758360 0.83 PSMB1 (0.45) PTPN1PSMB1PSMB8PSMB9PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed