SCHEMBL7279637

SCHEMBL7279637

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.42
TSHR P16473 3/20 0.42
CASP1 P29466 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 1/20 0.39
CHRNA7 P36544 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
SCHEMBL7279122 0.76 F2 (0.37) ALOX15TSHRCASP1LMNATP53
SCHEMBL7279628 0.75 ELANE (0.50) ALOX15TSHRCASP1LMNATP53
Trifluoromethanesulfonic Acid SCHEMBL7286712 0.74 HTT (0.34) TSHRNPSR1F2
SCHEMBL7286342 0.73 LMNA (0.41) ALOX15TSHRLMNATP53USP2
SCHEMBL7285854 0.72 ALOX15 (0.58) ALOX15TSHRCASP1LMNATP53
SCHEMBL7286277 0.71 ELANE (0.39) TSHRLMNASMN1; SMN2MAPTMAPK1
SCHEMBL6860344 0.71 ELANE (0.39) TSHRLMNASMN1; SMN2MAPTMAPK1
SCHEMBL7286039 0.71 ELANE (0.52) CASP1HSD17B10
SCHEMBL7860987 0.70 ELANE (0.37)
SCHEMBL8939655 0.70 F2 (0.47) F2

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