SCHEMBL7996197

SCHEMBL7996197

CCCCCCN(CCCCCC)C(=O)C=Cc1ccc(-c2[nH]c(-c3ccc(C4=NOC(C(=O)O)C4)cc3)nc2-c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.64
▸ SELE P16581 2/20 0.64
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MPO P05164 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL7996192 1.00 SELP (0.64) SELPSELEMEN1KMT2AITGB3
SCHEMBL7993235 0.94 SELP (0.63) SELPSELEMEN1KMT2AITGB3
SCHEMBL7993244 0.94 SELP (0.63) SELPSELEMEN1KMT2AITGB3
SCHEMBL8286561 0.91 SELP (0.76) SELPSELEPTPN1
SCHEMBL7996515 0.90 SELP (0.61) SELPSELEMEN1KMT2AITGB3
SCHEMBL7992892 0.88 SELP (0.83) SELPSELEMEN1KMT2AITGB3
SCHEMBL7996462 0.88 SELP (0.83) SELPSELEMEN1KMT2AITGB3
SCHEMBL8196071 0.88 SELP (0.54) SELPSELEMEN1KMT2AITGB3
SCHEMBL8196065 0.88 SELP (0.54) SELPSELEMEN1KMT2AITGB3
SCHEMBL7995405 0.86 SELP (0.67) SELPSELEMEN1KMT2AITGB3

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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