SCHEMBL8000346

SCHEMBL8000346

CCCCCc1ccc(N(CC)C(=O)C=Cc2ccc(-c3[nH]c(-c4ccc(C=CC(=O)OCC)cc4)nc3-c3ccc(OCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SELP P16109 7/20 0.40
▸ SELE P16581 2/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ PTPRF P10586 1/20 0.38
▸ CDC25A P30304 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ PPP1CC P36873 1/20 0.38
▸ GCGR P47871 1/20 0.37
▸ PLA2G4A P47712 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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 0.86 SELP (0.53) MEN1KMT2ASELPSELEPTPN1
SCHEMBL8000298 0.86 SELP (0.53) MEN1KMT2ASELPSELEPTPN1
SCHEMBL7997425 0.84 MEN1 (0.46) MEN1KMT2ASELPSELEPTPN1
SCHEMBL7997432 0.84 MEN1 (0.46) MEN1KMT2ASELPSELEPTPN1
SCHEMBL8001395 0.82 MEN1 (0.54) MEN1KMT2ASELPSELEPTPN1
SCHEMBL8194911 0.80 SELP (0.58) MEN1KMT2ASELPSELEPTPN1
SCHEMBL8194916 0.80 SELP (0.58) MEN1KMT2ASELPSELEPTPN1
SCHEMBL7853844 0.79 CYSLTR2 (0.42) SELPPTPN1LTB4R2CYSLTR2CYSLTR1
SCHEMBL7853842 0.79 CYSLTR2 (0.42) SELPPTPN1LTB4R2CYSLTR2CYSLTR1
SCHEMBL7997394 0.78 MEN1 (0.49) MEN1KMT2ASELPSELEPTPN1

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 1 patent. 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
Send feedback