SCHEMBL7390342

SCHEMBL7390342

CCOC(=O)C1CCCCCCCCCCC(C(=O)OCC)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.43
ALDH1A1 P00352 8/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7386753 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10KMT2AKDM4EHPGD
SCHEMBL7391360 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10KMT2AKDM4EHPGD
SCHEMBL7386602 0.81 ALDH1A1 (0.37) ALDH1A1HSD17B10KMT2AKDM4EHPGD
SCHEMBL7381519 0.80 LMNA (0.47) ALDH1A1HSD17B10KMT2AKDM4EHPGD
SCHEMBL3066907 0.78 LMNA (0.48) TLR4ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL7387145 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10KMT2AKDM4EMEN1
SCHEMBL7388692 0.77 ACE (0.39) ALDH1A1TSHR
SCHEMBL74445 0.76 L3MBTL1 (0.50) TLR4ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL13106060 0.76 LMNA (0.49) TLR4ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL15265428 0.76 LMNA (0.49) TLR4ALDH1A1MAPTHSD17B10KMT2A

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
US-5426103-A Endopeptidase inhibitors; condensing macrocylic compound with a thioic acid or salt therof; possible esterification, salt formation, deslating, deprotecting, deesterifying of function-al groups CIBA-GEIGY CORPORATION (US) 1995-06-20 US disclosed
US-5244889-A Treatment of cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-09-14 US disclosed
EP-0544620-A1 Macrocyclic lactams as inhibitors of atrial natriuretic factors (ANF)-degrading neutral endopeptidase (NEP) CIBA-GEIGY AG (CH) 1993-06-02 EP disclosed