SCHEMBL6852340

SCHEMBL6852340

CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc(O)c1[nH]c(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.44
KIT P10721 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
ABL2 P42684 2/20 0.44
FLT4 P35916 1/20 0.44
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EIF4A3 P38919 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
SCHEMBL6998368 0.83 SRD5A2 (0.41) ADH1AKITFLT1KDRABL2
SCHEMBL6618596 0.81 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL6851180 0.81 ADH1A (0.36) ADH1AKITFLT1KDRABL2
SCHEMBL7954292 0.81 ADH1A (0.32) ADH1AKITFLT1KDRABL2
SCHEMBL6855095 0.80 ADH1A (0.37) ADH1AKITFLT1KDRABL2
SCHEMBL1899623 0.79 ADH1A (0.65) ADH1AKITFLT1KDRABL2
SCHEMBL18089333 0.79 ADH1A (0.65) ADH1AKITFLT1KDRABL2
SCHEMBL29416531 0.79 ADH1A (0.65) ADH1AKITFLT1KDRABL2
SCHEMBL16781599 0.79 ADH1A (0.65) ADH1AKITFLT1KDRABL2
SCHEMBL1903631 0.79 ADH1A (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
EP-0937726-B1 INTERMEDIATES FOR THE PREPARATION OF DUOCARMYCIN SA AND DERIVATIVES THEREOF, AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES KYORIN SEIYAKU KK (JP) 2003-03-12 EP disclosed
US-6066742-A Intermediates for the preparation of duocarmycin SA and derivatives thereof, and process for the production of the intermediates KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US disclosed
EP-0937726-A1 INTERMEDIATES FOR THE PREPARATION OF DUOCARMYCIN SA AND DERIVATIVES THEREOF, AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1999-08-25 EP disclosed
US-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed