SCHEMBL4951371

SCHEMBL4951371

O=C1c2ccccc2C(=O)N1[C@H](CO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 5/20 0.37
GAA P10253 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL14175420 0.78 EPHX2 (0.40) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL14175279 0.78 EPHX2 (0.40) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL4946845 0.77 KMT2A (0.34) MEN1KMT2AALDH1A1POLBCYP2D6
SCHEMBL29617263 0.77 EPHX2 (0.39) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL4946433 0.77 ALDH1A1 (0.43) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL4951450 0.77 ALDH1A1 (0.43) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL14648459 0.75 EPHX2 (0.41) KMT2AEPHX2ALDH1A1GAAPOLB
SCHEMBL31756476 0.75 ALDH1A1 (0.42) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL30285916 0.74 EPHX2 (0.38) MEN1KMT2AEPHX2ALDH1A1GAA
SCHEMBL14648463 0.73 EPHX2 (0.39) EPHX2ALDH1A1KDM4EHPGDMAPK1

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
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed