SCHEMBL8181836

SCHEMBL8181836

CCCCCCCCCCCCNC(=O)C=Cc1ccc(-c2[nH]c(-c3ccc(C=CC(=O)O)cc3)nc2-c2ccc(O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 9/20 0.74
▸ SELE P16581 2/20 0.74
▸ PTPN1 P18031 1/20 0.57
▸ EGFR P00533 1/20 0.52
▸ ESR1 P03372 3/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ APP P05067 1/20 0.47

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
SCHEMBL7999875 0.90 SELP (0.70) SELPSELEPTPN1EGFRAPP
SCHEMBL7999883 0.90 SELP (0.70) SELPSELEPTPN1EGFRAPP
SCHEMBL7999878 0.90 SELP (0.70) SELPSELEPTPN1EGFRAPP
SCHEMBL7982779 0.88 SELP (0.68) SELPSELEPTPN1EGFR
SCHEMBL7993959 0.88 SELP (0.68) SELPSELEPTPN1EGFR
SCHEMBL7996850 0.87 SELP (0.66) SELPSELEPTPN1EGFRAPP
SCHEMBL7996846 0.87 SELP (0.66) SELPSELEPTPN1EGFRAPP
SCHEMBL8193669 0.87 SELP (0.59) SELPSELEEGFRESR1ESR2
SCHEMBL7995416 0.86 SELP (0.65) SELPSELEPTPN1EGFRESR1
SCHEMBL7995403 0.86 SELP (0.65) SELPSELEPTPN1EGFRESR1

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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