SCHEMBL7429985

SCHEMBL7429985

CC(C)(C)OC(=O)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.60
KLK7 P49862 2/20 0.60
KLK5 Q9Y337 1/20 0.59
FKBP1A P62942 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CTRB1 P17538 1/20 0.55
GFER P55789 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL7318246 1.00 PREP (0.60) PREPKLK7KLK5FKBP1ANPSR1
SCHEMBL25678381 0.96 FKBP1A (0.62) PREPKLK7KLK5FKBP1ANPSR1
SCHEMBL10522061 0.96 PREP (0.64) PREPKLK7KLK5FKBP1ANPSR1
SCHEMBL29510776 0.95 FKBP1A (0.61) PREPKLK7KLK5FKBP1ANPSR1
SCHEMBL30863413 0.93 PREP (0.54) PREPKLK7KLK5FKBP1ANPSR1
SCHEMBL159104 0.91 KLK7 (0.66) PREPKLK7KLK5FKBP1A
SCHEMBL5970730 0.91 KLK7 (0.66) PREPKLK7KLK5FKBP1A
SCHEMBL159105 0.91 KLK7 (0.66) PREPKLK7KLK5FKBP1A
SCHEMBL16272917 0.87 FKBP1A (0.66) PREPKLK7KLK5FKBP1ANPSR1
SCHEMBL7326760 0.87 FKBP1A (0.66) PREPKLK7KLK5FKBP1ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1328278-C N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2007-07-25 CN disclosed
CN-1265661-A N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2000-09-06 CN disclosed
EP-0267723-B1 New substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents MERCK & CO INC (US) 1996-02-07 EP disclosed
US-5364848-A Elastase inhibitors MERCK & CO., INC. (US) 1994-11-15 US disclosed
US-5132301-A Substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents MERCK & CO., INC. (US) 1992-07-21 US disclosed
US-4954158-A INHIBIT ETHYLENE PRODUCTION IN PLANTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1990-09-04 US disclosed
WO-1990007260-A2 2,3-METHANOPROLINE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1990-07-12 WO disclosed
EP-0267723-A2 New substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents MERCK & CO. INC. (US) 1988-05-18 EP disclosed