SCHEMBL7996850

SCHEMBL7996850

CCCCCCCCCCCCNC(=O)c1ccc(-c2[nH]c(-c3ccc(C=CC(=O)O)cc3)nc2-c2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 8/20 0.66
▸ SELE P16581 2/20 0.66
▸ PTPN1 P18031 1/20 0.64
▸ PRSS12 P56730 1/20 0.47
▸ APP P05067 1/20 0.45
▸ NAAA Q02083 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL7996846 1.00 SELP (0.66) SELPSELEPTPN1PRSS12APP
SCHEMBL7995403 0.88 SELP (0.65) SELPSELEPTPN1APPADORA3
SCHEMBL7995416 0.88 SELP (0.65) SELPSELEPTPN1APPADORA3
SCHEMBL8181836 0.87 SELP (0.74) SELPSELEPTPN1APPEGFR
SCHEMBL7999875 0.84 SELP (0.70) SELPSELEPTPN1APPKMT2A
SCHEMBL7999883 0.84 SELP (0.70) SELPSELEPTPN1APPKMT2A
SCHEMBL7999878 0.84 SELP (0.70) SELPSELEPTPN1APPKMT2A
SCHEMBL7993959 0.83 SELP (0.68) SELPSELEPTPN1KMT2AADORA3
SCHEMBL7982779 0.83 SELP (0.68) SELPSELEPTPN1KMT2AADORA3
SCHEMBL7993326 0.80 SELP (1.00) SELPSELEPTPN1APPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000033836-A9 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORP (US) 2001-10-04 — — WO disclosed
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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