SCHEMBL6851179

SCHEMBL6851179

CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc(O)c1[nH]c(C(F)(F)F)c(C(=O)O)c21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.35
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
ABL2 P42684 1/20 0.35

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
SCHEMBL7474530 0.91 ADH1A (0.34) ADH1AKITFLT1FLT4KDR
SCHEMBL6851180 0.88 ADH1A (0.36) ADH1AKITFLT1FLT4KDR
SCHEMBL7474754 0.84 TACR1 (0.33) ADH1AKITFLT1FLT4KDR
SCHEMBL7464610 0.84
SCHEMBL7463578 0.80 LEF1 (0.36) ADH1AKITFLT1FLT4KDR
SCHEMBL6855095 0.80 ADH1A (0.37) ADH1AKITFLT1FLT4KDR
SCHEMBL7465921 0.79 ALDH1A1 (0.37)
SCHEMBL7465748 0.79 ALDH1A1 (0.37)
SCHEMBL6852340 0.79 ADH1A (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL8831050 0.78

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-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 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
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed