SCHEMBL8200147

SCHEMBL8200147

COC(=O)C1CCC(C(=O)Nc2sc(C)cc2C(=O)NC(Cc2ccccc2)C2=COCO2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 4/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
F11 P03951 6/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 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
SCHEMBL7881616 0.93 LMNA (0.36) REV1MAPTPOLBGAAHIF1A
SCHEMBL8200017 0.92 MAPT (0.46) REV1MAPTPOLBGAAHIF1A
SCHEMBL8211924 0.91 F11 (0.36) MAPTPOLBGAAHIF1ALMNA
SCHEMBL8200330 0.85 MAPT (0.45) REV1MAPTPOLBGAAHIF1A
SCHEMBL8210397 0.84 KDM4E (0.41) MAPTGAALMNAKDM4ESMN1; SMN2
SCHEMBL8212479 0.82 MAPT (0.38) MAPTPOLBGAALMNAKDM4E
SCHEMBL8206343 0.82 MAPT (0.47) MAPTGAARXFP1KDM4ESMN1; SMN2
SCHEMBL8209525 0.78 KMT2A (0.37) MAPTPOLBGAANPC1RAB9A
SCHEMBL8207368 0.77 REV1 (0.47) REV1MAPTPOLBGAAHIF1A
SCHEMBL8200396 0.76 ALDH1A1 (0.44) MAPTPOLBGAAKDM4ERAB9A

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