SCHEMBL8399100

SCHEMBL8399100

COC(=O)N[C@@H](C(C)C)C(O)c1c(-c2ccccc2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HTT P42858 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
SCHEMBL9390268 0.81 CYP2D6 (0.42)
Hydrochloric Acid SCHEMBL8394416 0.80 KMT2A (0.40) LMNASMN1; SMN2FGFR1FGFR2FGFR4
SCHEMBL7343207 0.78 CTSK (0.50) ELANE
SCHEMBL7339604 0.78 CTSK (0.50) ELANE
SCHEMBL7337140 0.77 CTSL (0.53)
SCHEMBL7337277 0.76 CTSK (0.59)
SCHEMBL14932686 0.73 CTSS (0.52)
SCHEMBL5350533 0.73 CTSS (0.52)
Hydrochloric Acid SCHEMBL7337126 0.71 ALDH1A1 (0.41) LMNAFGFR1SRCFGFR2FGFR4
SCHEMBL8399106 0.67 KDM1A (0.34) SMN1; SMN2TDP1MAPTALDH1A1MEN1

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-0590650-B1 Cyclopropene derivatives with thiol protease inhibiting activity MITSUBISHI CHEM CORP (JP) 1999-05-26 EP disclosed
US-5395958-A Intermediates for enzyme inhibitors MITSUBISHI KASEI CORPORATION (JP) 1995-03-07 US disclosed
EP-0590650-A1 Cyclopropene derivatives with thiol protease inhibiting activity Mitsubishi Chemical Corporation (JP) 1994-04-06 EP disclosed