SCHEMBL7954292

SCHEMBL7954292

COCC1CN(C(=O)OC(C)(C)C)c2cc(O)c3[nH]c(C(=O)OC)cc3c21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.32
KIT P10721 2/20 0.32
FLT1 P17948 2/20 0.32
KDR P35968 2/20 0.32
ABL2 P42684 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FLT4 P35916 1/20 0.32
NR1H2 P55055 1/20 0.30

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
SCHEMBL7952298 0.82 UCHL1 (0.34) HDAC1HDAC6
SCHEMBL6618596 0.81 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL6852340 0.81 ADH1A (0.44) ADH1AKITFLT1KDRABL2
SCHEMBL7945633 0.79 UCHL1 (0.34) HDAC1HDAC6
SCHEMBL6206095 0.78 XDH (0.40) HDAC1HDAC6NR1H2
SCHEMBL6618798 0.77 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL7546805 0.76 ADH1A (0.38) ADH1AKITFLT1KDRABL2
SCHEMBL6205393 0.75 HDAC1 (0.35) HDAC1HDAC6NR1H2
SCHEMBL8131361 0.74 AR (0.37) ADH1AKITFLT1KDRABL2
SCHEMBL24065613 0.73 ADH1A (0.40) ADH1AKITFLT1KDRABL2

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
US-6281354-B1 ANTIBIOTICS; ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE 2001-08-28 US disclosed