SCHEMBL8896352

SCHEMBL8896352

CC[C@H](C)CNC(=O)OC(CC(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.49
LAP3 P28838 2/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 1/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSK P43235 2/20 0.33
ALDH1A1 P00352 1/20 0.33
REN P00797 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL8610377 1.00 FOLH1 (0.49) FOLH1LAP3HRH4HRH3MAPT
SCHEMBL8610371 1.00 FOLH1 (0.49) FOLH1LAP3HRH4HRH3MAPT
SCHEMBL8896358 1.00 FOLH1 (0.49) FOLH1LAP3HRH4HRH3MAPT
SCHEMBL7303529 0.80 FOLH1 (0.51) FOLH1LAP3MAPTCTSKALDH1A1
SCHEMBL8897285 0.78 PPARG (0.45) CYP2C19ALDH1A1
SCHEMBL8897280 0.78 PPARG (0.45) CYP2C19ALDH1A1
SCHEMBL24261161 0.77 ALOX15 (0.41) HRH4HRH3MAPTCYP2D6CYP2C19
SCHEMBL12654925 0.73 HRH4 (0.42) HRH4HRH3MAPTCYP2D6CYP2C19
SCHEMBL12872128 0.73 HRH4 (0.42) HRH4HRH3MAPTCYP2D6CYP2C19
SCHEMBL17793930 0.73 HRH4 (0.38) HRH4HRH3MAPTCTSKALDH1A1

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-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed