SCHEMBL7995190

SCHEMBL7995190

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 8/20 0.57
▸ SELE P16581 2/20 0.52
▸ EGFR P00533 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 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
▸ APP P05067 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR1A P08908 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL7982614 0.94 SELP (0.54) SELPSELEEGFRMEN1KMT2A
SCHEMBL7993959 0.88 SELP (0.68) SELPSELEEGFRMEN1KMT2A
SCHEMBL7982779 0.88 SELP (0.68) SELPSELEEGFRMEN1KMT2A
SCHEMBL8194916 0.85 SELP (0.58) SELPSELEEGFRMEN1KMT2A
SCHEMBL8194911 0.85 SELP (0.58) SELPSELEEGFRMEN1KMT2A
SCHEMBL7992898 0.84 SELP (0.49) SELPSELEEGFRMEN1KMT2A
SCHEMBL7994592 0.84 SELP (0.56) SELPSELEEGFRMEN1KMT2A
SCHEMBL7994596 0.84 SELP (0.56) SELPSELEEGFRMEN1KMT2A
SCHEMBL7996462 0.80 SELP (0.83) SELPSELEEGFRMEN1KMT2A
SCHEMBL7992892 0.80 SELP (0.83) SELPSELEEGFRMEN1KMT2A

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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