SCHEMBL8919439

SCHEMBL8919439

CC(C)(C)OC(=O)N1CCC[C@H]1C=CCCC[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.44
KLK7 P49862 1/20 0.42
CTRB1 P17538 1/20 0.40
ABCB1 P08183 1/20 0.40
FKBP1A P62942 2/20 0.39
ACE P12821 1/20 0.39
PREP P48147 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
STAT6 P42226 1/20 0.39

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
SCHEMBL8917522 0.91 ACE2 (0.42) ACE2KLK7ACEMEN1KMT2A
SCHEMBL3045671 0.83 FKBP1A (0.45) KLK7FKBP1AACEMEN1KMT2A
SCHEMBL3045668 0.83 FKBP1A (0.45) KLK7FKBP1AACEMEN1KMT2A
SCHEMBL3046635 0.82 FKBP1A (0.45) KLK7FKBP1AMEN1KMT2ASTAT6
SCHEMBL3046636 0.82 FKBP1A (0.45) KLK7FKBP1AMEN1KMT2ASTAT6
SCHEMBL3046386 0.81 STAT6 (0.50) KLK7FKBP1AACEMEN1KMT2A
SCHEMBL3046383 0.81 STAT6 (0.50) KLK7FKBP1AACEMEN1KMT2A
SCHEMBL3051711 0.81 KLK7 (0.47) KLK7ACEMEN1KMT2AMAPT
SCHEMBL3051710 0.81 KLK7 (0.47) KLK7ACEMEN1KMT2AMAPT
SCHEMBL7333711 0.75 KLK7 (0.58) KLK7CTRB1FKBP1AACEPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686565-A ANTIINFLAMMATORY AGENTS SCIOS INC. (US) 1997-11-11 US disclosed
US-5552383-A ANALGESIC, ANTIINFLAMMATORY FOR WOUNDS SCIOS NOVA INC. (US) 1996-09-03 US disclosed