SCHEMBL7293245

SCHEMBL7293245

CC(C)C[C@H](O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
EPHX1 P07099 1/20 0.31
REN P00797 3/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP3 P08254 1/20 0.30
ADAM17 P78536 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7439903 1.00 KMT2A (0.33) KMT2ABCHESPHK1CTSSCTSK
SCHEMBL7439907 1.00 KMT2A (0.33) KMT2ABCHESPHK1CTSSCTSK
SCHEMBL7439912 1.00 KMT2A (0.33) KMT2ABCHESPHK1CTSSCTSK
SCHEMBL7295750 0.92 KMT2A (0.30) KMT2A
SCHEMBL10531006 0.90 EPHX1 (0.33) KMT2ASPHK1CTSSCTSKBACE1
SCHEMBL9556570 0.88 BACE1 (0.33) KMT2ASPHK1CTSSCTSKBACE1
SCHEMBL7362140 0.88 SPHK1 (0.31) SPHK1CTSSCTSKBACE1CTSD
SCHEMBL9556792 0.85 SPHK1 (0.31) SPHK1CTSSCTSKBACE1CTSD
SCHEMBL9506660 0.84 BACE1 (0.33) SPHK1CTSSCTSKBACE1CTSD
SCHEMBL9556483 0.84 BACE1 (0.33) SPHK1CTSSCTSKBACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397779-A1 RENIN INHIBITING PEPTIDES WITH POLAR END GROUPS THE UPJOHN COMPANY (US) 1990-11-22 EP disclosed
WO-1990002137-A1 RENIN INHIBITORY PEPTIDES CONTAINING SULEPTANIC ACID OR DERIVATIVES THEREOF THE UPJOHN COMPANY (US) 1990-03-08 WO disclosed
EP-0355065-A1 Renin inhibitory peptides containing suleptanic acid or derivatives thereof THE UPJOHN COMPANY (US) 1990-02-21 EP disclosed
EP-0329295-A1 Renin inhibiting peptides with polar end groups THE UPJOHN COMPANY (US) 1989-08-23 EP disclosed
WO-1989007109-A1 RENIN INHIBITING PEPTIDES WITH POLAR END GROUPS THE UPJOHN COMPANY (US) 1989-08-10 WO disclosed