SCHEMBL7463578

SCHEMBL7463578

CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(F)(F)F)c(C(=O)O)c43)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.36
RORC P51449 16/20 0.32
F11 P03951 2/20 0.31
ADH1A P07327 1/20 0.30
KIT P10721 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
ABL2 P42684 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
SCHEMBL7468685 0.88 ADH1A (0.32) ADH1AKITFLT1FLT4KDR
SCHEMBL7469597 0.84 PYGL (0.32) F11ADH1AKITFLT1FLT4
SCHEMBL7460763 0.83 KDM4E (0.37)
SCHEMBL7465517 0.83 KDM4E (0.36)
SCHEMBL7463553 0.83 KDM4E (0.36)
SCHEMBL6627433 0.83 MAPT (0.38)
SCHEMBL7464956 0.83 KDM4E (0.35)
SCHEMBL7468222 0.83 NPC1 (0.37) LEF1
SCHEMBL6520370 0.82 ADH1A (0.48) LEF1RORCF11ADH1AKIT
SCHEMBL6520374 0.82 ADH1A (0.48) LEF1RORCF11ADH1AKIT

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
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 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