SCHEMBL7286342

SCHEMBL7286342

CC(C)C(C(=O)c1nc2ccccc2s1)N1CCC[C@H]1C(=O)N(C(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR1 P32246 1/20 0.40
ELANE P08246 13/20 0.40
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7287053 0.86 ELANE (0.51) ELANE
SCHEMBL7289259 0.86 ALDH1A1 (0.40) ELANENPSR1
SCHEMBL7288307 0.82 ELANE (0.41) ELANE
SCHEMBL7376894 0.81 ELANE (0.60) ELANE
SCHEMBL7278937 0.81 ELANE (0.60) ELANE
SCHEMBL7279942 0.81 ELANE (0.61) ELANE
SCHEMBL7279198 0.81 ELANE (0.61) ELANE
SCHEMBL7287180 0.81 ELANE (0.44) ELANE
SCHEMBL7279280 0.80 ELANE (0.61) ELANE
SCHEMBL7287031 0.80 ELANE (0.61) ELANE

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