SCHEMBL8917522

SCHEMBL8917522

CC(C)(C)OC(=O)N1CCC[C@H]1C=CCCC[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 6/20 0.42
STAT6 P42226 1/20 0.42
ACE P12821 2/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FOLH1 Q04609 1/20 0.40
MAPK1 P28482 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38

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
SCHEMBL8919439 0.91 ACE2 (0.44) ACE2STAT6ACEKLK7MEN1
SCHEMBL3045671 0.86 FKBP1A (0.45) STAT6ACEKLK7MEN1ALDH1A1
SCHEMBL3045668 0.86 FKBP1A (0.45) STAT6ACEKLK7MEN1ALDH1A1
SCHEMBL3046636 0.85 FKBP1A (0.45) STAT6KLK7MEN1ALDH1A1LMNA
SCHEMBL3046635 0.85 FKBP1A (0.45) STAT6KLK7MEN1ALDH1A1LMNA
SCHEMBL3046386 0.84 STAT6 (0.50) STAT6ACEKLK7MEN1ALDH1A1
SCHEMBL3046383 0.84 STAT6 (0.50) STAT6ACEKLK7MEN1ALDH1A1
SCHEMBL3051710 0.84 KLK7 (0.47) ACEKLK7MEN1ALDH1A1LMNA
SCHEMBL3051711 0.84 KLK7 (0.47) ACEKLK7MEN1ALDH1A1LMNA
SCHEMBL8918708 0.80 ACE2 (0.44) ACE2STAT6ACEKLK7KLK5

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-5686565-A ANTIINFLAMMATORY AGENTS SCIOS INC. (US) 1997-11-11 US disclosed