SCHEMBL7982779

SCHEMBL7982779

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 9/20 0.68
▸ SELE P16581 2/20 0.68
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ PTPN1 P18031 1/20 0.52
▸ EGFR P00533 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ MPO P05164 1/20 0.41

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
SCHEMBL7993959 1.00 SELP (0.68) SELPSELEMEN1KMT2APTPN1
SCHEMBL8194916 0.92 SELP (0.58) SELPSELEMEN1KMT2APTPN1
SCHEMBL8194911 0.92 SELP (0.58) SELPSELEMEN1KMT2APTPN1
SCHEMBL7994592 0.89 SELP (0.56) SELPSELEMEN1KMT2AEGFR
SCHEMBL7994596 0.89 SELP (0.56) SELPSELEMEN1KMT2AEGFR
SCHEMBL8181836 0.88 SELP (0.74) SELPSELEPTPN1EGFR
SCHEMBL7995190 0.88 SELP (0.57) SELPSELEMEN1KMT2AEGFR
SCHEMBL7999875 0.87 SELP (0.70) SELPSELEMEN1KMT2APTPN1
SCHEMBL7999883 0.87 SELP (0.70) SELPSELEMEN1KMT2APTPN1
SCHEMBL7999878 0.87 SELP (0.70) SELPSELEMEN1KMT2APTPN1

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 3 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 claimed
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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