SCHEMBL7473609

SCHEMBL7473609

CC(=O)OCC1CN(C(=O)OC(C)(C)C)c2cc(OCc3ccccc3)c(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.38
YAP1 P46937 2/20 0.35
TLR9 Q9NR96 3/20 0.34
TLR7 Q9NYK1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
PKM P14618 1/20 0.34
LTA4H P09960 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL6997323 1.00 GHSR (0.38) GHSRYAP1TLR9TLR7ALDH1A1
SCHEMBL9318090 0.84 GHSR (0.37) GHSRYAP1TLR9TLR7NPC1
SCHEMBL6993841 0.83 YAP1 (0.38) GHSRYAP1TLR9TLR7NPC1
SCHEMBL7469344 0.80 GHSR (0.34) GHSRYAP1TLR9TLR7NPC1
SCHEMBL7470100 0.80 GHSR (0.34) GHSRYAP1TLR9TLR7NPC1
SCHEMBL7469349 0.80 GHSR (0.34) GHSRYAP1TLR9TLR7NPC1
SCHEMBL7470104 0.80 GHSR (0.34) GHSRYAP1TLR9TLR7NPC1
SCHEMBL5865450 0.79 TLR9 (0.37) GHSRYAP1TLR9TLR7
SCHEMBL6995739 0.78 SRD5A2 (0.40) GHSRYAP1TLR9TLR7ALDH1A1
SCHEMBL9821509 0.78 GHSR (0.43) GHSRYAP1LTA4H

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