SCHEMBL8470622

SCHEMBL8470622

COC(c1ccccc1)C(C)(C)[C]=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.33
ACP3 P15309 1/20 0.33
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7223826 0.79 KMT2A (0.36) KMT2ATHRBCYP3A4EPHX1ACP3
SCHEMBL12344306 0.77 ATM (0.40) KMT2ATHRBATML3MBTL1EPHX1
SCHEMBL11911981 0.77 ATM (0.40) KMT2ATHRBATML3MBTL1EPHX1
SCHEMBL14663964 0.77 ATM (0.40) KMT2ATHRBATML3MBTL1EPHX1
SCHEMBL4847089 0.75 RIPK1 (0.36) KMT2AATML3MBTL1RIPK1GAA
SCHEMBL16391353 0.73 KMT2A (0.46) KMT2AATML3MBTL1CYP3A4ALDH1A1
SCHEMBL10512562 0.72 KMT2A (0.39) KMT2ATHRBATML3MBTL1CYP3A4
SCHEMBL16391212 0.72 KMT2A (0.44) KMT2AATML3MBTL1CYP3A4ALDH1A1
SCHEMBL12199974 0.71 NPSR1 (0.43) KMT2ATHRBL3MBTL1EPHX1ALDH1A1
SCHEMBL7715366 0.71 NPSR1 (0.43) KMT2ATHRBL3MBTL1EPHX1ALDH1A1

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-1997018222-A9 NOVEL OLIGOSACCHARIDE GLYCOSIDES HAVING MAMMALIAN IMMUNOSUPPRESSIVE AND TOLEROGENIC PROPERTIES GLYCOMED INC (US) 1999-07-01 WO disclosed
WO-1997018222-A2 NOVEL OLIGOSACCHARIDE GLYCOSIDES HAVING MAMMALIAN IMMUNOSUPPRESSIVE AND TOLEROGENIC PROPERTIES GLYCOMED, INC. (US) 1997-05-22 WO disclosed