SCHEMBL7677516

SCHEMBL7677516

O=C(O)COc1ccc(C[C@H](NC(=O)c2ccoc2)C(=O)NCCCCc2ccccc2)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.63
GRB2 P62993 2/20 0.44
FOLH1 Q04609 2/20 0.42

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
SCHEMBL7680012 0.94 PTPN1 (0.56) PTPN1GRB2
SCHEMBL4651225 0.91 PTPN1 (0.69) PTPN1GRB2
SCHEMBL7679773 0.87 PTPN1 (0.64) PTPN1GRB2
SCHEMBL7675512 0.86 PTPN1 (0.63) PTPN1GRB2
SCHEMBL7673509 0.85 PTPN1 (0.62) PTPN1FOLH1
SCHEMBL7680767 0.85 PTPN1 (0.62) PTPN1GRB2
SCHEMBL7671358 0.84 PTPN1 (0.62) PTPN1GRB2
SCHEMBL4651199 0.81 PTPN1 (0.57) PTPN1
SCHEMBL4650909 0.81 PTPN1 (0.55) PTPN1
SCHEMBL4650251 0.79 PTPN1 (0.62) PTPN1GRB2

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
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed