SCHEMBL7993320

SCHEMBL7993320

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 9/20 1.00
▸ SELE P16581 2/20 1.00
▸ PTPN1 P18031 1/20 0.51
▸ EGFR P00533 1/20 0.44
▸ APP P05067 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ PTGS2 P35354 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HTR1A P08908 2/20 0.37

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
SCHEMBL7993313 1.00 SELP (1.00) SELPSELEPTPN1EGFRAPP
SCHEMBL7996989 1.00 SELP (1.00) SELPSELEPTPN1EGFRAPP
SCHEMBL7993326 1.00 SELP (1.00) SELPSELEPTPN1EGFRAPP
SCHEMBL7996982 1.00 SELP (1.00) SELPSELEPTPN1EGFRAPP
SCHEMBL7996996 1.00 SELP (1.00) SELPSELEPTPN1EGFRAPP
SCHEMBL7995557 0.92 SELP (0.85) SELPSELEPTPN1EGFRAPP
SCHEMBL7995562 0.92 SELP (0.85) SELPSELEPTPN1EGFRAPP
SCHEMBL8181836 0.85 SELP (0.74) SELPSELEPTPN1EGFRAPP
SCHEMBL8267398 0.83 SELP (0.71) SELPSELEPTPN1EGFRAPP
SCHEMBL8267390 0.83 SELP (0.71) SELPSELEPTPN1EGFRAPP

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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