SCHEMBL7279122

SCHEMBL7279122

CC(C)C(C(=O)c1nc2ccccc2s1)N1CCC[C@H]1C(=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PREP P48147 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7278813 0.85 F2 (0.37) F2PREP
SCHEMBL7286288 0.81 FAAH (0.39) PREPLMNAHSD17B10
SCHEMBL6449506 0.80 PREP (0.35) PREP
SCHEMBL7276163 0.79 ELANE (0.39) PREPNPC1RAB9A
SCHEMBL7276586 0.78 SIGMAR1 (0.39) CASP1PREP
SCHEMBL7289208 0.77 ELANE (0.47) NPC1RAB9A
SCHEMBL9744946 0.77 ELANE (0.47) NPC1RAB9A
SCHEMBL7279637 0.76 ALOX15 (0.42) F2ALOX15TSHRCASP1SMN1; SMN2
SCHEMBL7286342 0.76 LMNA (0.41) ALOX15TSHRSMN1; SMN2MAPK1USP2
SCHEMBL7288778 0.76 ELANE (0.34) NPC1RAB9A

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-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed