SCHEMBL7995368

SCHEMBL7995368

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 5/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SELE P16581 2/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ MPO P05164 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 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
SCHEMBL8000298 1.00 SELP (0.53) SELPMEN1KMT2ASELEPTPN1
SCHEMBL8000346 0.86 MEN1 (0.47) SELPMEN1KMT2ASELEPTPN1
SCHEMBL8194916 0.86 SELP (0.58) SELPMEN1KMT2ASELEPTPN1
SCHEMBL8194911 0.86 SELP (0.58) SELPMEN1KMT2ASELEPTPN1
SCHEMBL8001395 0.85 MEN1 (0.54) SELPMEN1KMT2ASELEPTPN1
SCHEMBL7996192 0.84 SELP (0.64) SELPMEN1KMT2ASELEPTPN1
SCHEMBL7996197 0.84 SELP (0.64) SELPMEN1KMT2ASELEPTPN1
SCHEMBL7997394 0.84 MEN1 (0.49) SELPMEN1KMT2ASELEPTPN1
SCHEMBL7997384 0.84 MEN1 (0.49) SELPMEN1KMT2ASELEPTPN1
SCHEMBL7997432 0.81 MEN1 (0.46) SELPMEN1KMT2ASELEPTPN1

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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