SCHEMBL8206909

SCHEMBL8206909

COC(=O)C1CCC(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.63
CNR2 P34972 2/20 0.62
CNR1 P21554 1/20 0.62
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 1/20 0.59
MGAM O43451 6/20 0.58
AMY1A P0DUB6 3/20 0.58
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
PTK2B Q14289 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8212606 0.91 CNR2 (0.61) RORCCNR2CNR1MAPTKDM4E
SCHEMBL7890904 0.91 RORC (0.67) RORCCNR2CNR1MAPTKDM4E
SCHEMBL8248232 0.91 CNR2 (0.65) RORCCNR2CNR1MAPTKDM4E
SCHEMBL3801324 0.90 RORC (0.68) RORCCNR2CNR1MAPTKDM4E
Bicarbonate SCHEMBL7890907 0.89 RORC (0.67) RORCCNR2CNR1MAPTKDM4E
SCHEMBL8207571 0.87 CNR2 (0.58) CNR2CNR1MAPTKDM4EHSD17B10
SCHEMBL8200351 0.87 CNR2 (0.54) RORCCNR2CNR1MAPTKDM4E
SCHEMBL8206341 0.85 CNR2 (0.55) RORCCNR2CNR1MAPTKDM4E
SCHEMBL8212352 0.85 CNR2 (0.55) CNR2CNR1MAPTKDM4EHSD17B10
SCHEMBL4080130 0.84 RORC (0.68) RORCMAPTKDM4EHSD17B10MGAM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed