SCHEMBL7344330

SCHEMBL7344330

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
BACE1 P56817 2/20 0.32
CTSD P07339 1/20 0.32
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
EPHX1 P07099 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
SCHEMBL10531006 0.86 EPHX1 (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL7439907 0.83 KMT2A (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL7439912 0.83 KMT2A (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL7439903 0.83 KMT2A (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL7293245 0.83 KMT2A (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL9506660 0.82 BACE1 (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL9556570 0.82 BACE1 (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL9556483 0.82 BACE1 (0.33) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL9556792 0.82 SPHK1 (0.31) SPHK1BACE1CTSDCTSSCTSK
SCHEMBL7362140 0.82 SPHK1 (0.31) SPHK1BACE1CTSDCTSSCTSK

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-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
WO-1989007109-A1 RENIN INHIBITING PEPTIDES WITH POLAR END GROUPS THE UPJOHN COMPANY (US) 1989-08-10 WO disclosed