SCHEMBL8001395

SCHEMBL8001395

CCOC(=O)C=Cc1ccc(-c2nc(-c3ccc(OCC(=O)O)cc3)c(-c3ccc(C=CC(=O)N(CC)OC)cc3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ PTPN1 P18031 1/20 0.44
▸ MPO P05164 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL7995368 0.85 SELP (0.53) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL8000298 0.85 SELP (0.53) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL8000357 0.83 KMT2A (0.52) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL8001391 0.83 KMT2A (0.52) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL8000346 0.82 MEN1 (0.47) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL8194916 0.80 SELP (0.58) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL8194911 0.80 SELP (0.58) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL7993106 0.79 MEN1 (0.54) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL7993112 0.79 MEN1 (0.54) MEN1KMT2APTPN1MPOP2RY12
SCHEMBL7997394 0.78 MEN1 (0.49) MEN1KMT2APTPN1MPOP2RY12

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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