SCHEMBL6618596

SCHEMBL6618596

COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)OC)CC3CCl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.46
KIT P10721 2/20 0.46
FLT1 P17948 2/20 0.46
KDR P35968 2/20 0.46
ABL2 P42684 2/20 0.46
FLT4 P35916 1/20 0.46
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
FTO Q9C0B1 1/20 0.32
XDH P47989 1/20 0.31
CYP1A2 P05177 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
SCHEMBL6618798 0.92 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL24065613 0.87 ADH1A (0.40) ADH1AKITFLT1KDRABL2
SCHEMBL7945647 0.83 ADH1A (0.45) ADH1AKITFLT1KDRABL2
SCHEMBL30360049 0.81 P4HB (0.51) ADH1AKITFLT1KDRABL2
SCHEMBL7952123 0.81 HRH4 (0.44) ADH1AKITFLT1KDRABL2
SCHEMBL30852737 0.81 P4HB (0.51) ADH1AKITFLT1KDRABL2
SCHEMBL7959056 0.81 KMT2A (0.45) ADH1AKITFLT1KDRABL2
SCHEMBL19057483 0.81 P4HB (0.51) ADH1AKITFLT1KDRABL2
SCHEMBL18822196 0.81 P4HB (0.51) ADH1AKITFLT1KDRABL2
SCHEMBL7954292 0.81 ADH1A (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983248-B1 ANALOGS OF DUOCARMYCIN AND CC-1065 SCRIPPS RESEARCH INST (US) 2004-07-14 EP disclosed
US-6281354-B1 ANTIBIOTICS; ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE 2001-08-28 US disclosed