SCHEMBL8286561

SCHEMBL8286561

CCCCCCN(CCCCCC)C(=O)C=Cc1ccc(-c2[nH]c(-c3ccc(C4=NOC(C(=O)O)C4)cc3)nc2-c2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 9/20 0.76
▸ SELE P16581 2/20 0.76
▸ PTPN1 P18031 1/20 0.47
▸ APAF1 O14727 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GRK2 P25098 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL7996192 0.91 SELP (0.64) SELPSELEPTPN1
SCHEMBL7996197 0.91 SELP (0.64) SELPSELEPTPN1
SCHEMBL7996865 0.87 SELP (1.00) SELPSELEPTPN1
SCHEMBL7996855 0.87 SELP (1.00) SELPSELEPTPN1
SCHEMBL7996958 0.87 SELP (1.00) SELPSELEPTPN1
SCHEMBL7996847 0.87 SELP (1.00) SELPSELEPTPN1
SCHEMBL7996967 0.87 SELP (1.00) SELPSELEPTPN1
SCHEMBL7996951 0.87 SELP (1.00) SELPSELEPTPN1
SCHEMBL8000340 0.86 SELP (0.57) SELPSELEPTPN1
SCHEMBL8000343 0.86 SELP (0.57) SELPSELEPTPN1

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
WO-2000033836-A1 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORPORATION (US) 2000-06-15 — — WO disclosed
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