SCHEMBL8267398

SCHEMBL8267398

CCCCCCCCCCCCNC(=O)C=Cc1ccc(-c2[nH]c(-c3ccc(-c4cc(C(=O)OCC)on4)cc3)nc2-c2ccc(C=CC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 8/20 0.71
▸ SELE P16581 2/20 0.71
▸ ALOX5 P09917 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ APP P05067 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL8267390 1.00 SELP (0.71) SELPSELEALOX5EGFRPTPN1
SCHEMBL7996878 1.00 SELP (0.71) SELPSELEALOX5EGFRPTPN1
SCHEMBL8267396 1.00 SELP (0.71) SELPSELEALOX5EGFRPTPN1
SCHEMBL7996879 1.00 SELP (0.71) SELPSELEALOX5EGFRPTPN1
SCHEMBL7996875 1.00 SELP (0.71) SELPSELEALOX5EGFRPTPN1
SCHEMBL7995557 0.91 SELP (0.85) SELPSELEALOX5EGFRPTPN1
SCHEMBL7995562 0.91 SELP (0.85) SELPSELEALOX5EGFRPTPN1
SCHEMBL8000163 0.88 SELP (0.59) SELPSELEALOX5EGFRPTPN1
SCHEMBL8000157 0.88 SELP (0.59) SELPSELEALOX5EGFRPTPN1
SCHEMBL8215649 0.88 SELP (0.59) SELPSELEALOX5EGFRPTPN1

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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