SCHEMBL7362228

SCHEMBL7362228

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
METAP2 P50579 8/20 0.39
METAP1 P53582 7/20 0.39
CTSK P43235 5/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL7368293 1.00 REN (0.42) RENMETAP2METAP1CTSKCTSL
SCHEMBL10589195 0.95 REN (0.43) RENMETAP2METAP1CTSKCTSL
SCHEMBL7274619 0.82 REN (0.46) RENMETAP2METAP1CTSK
SCHEMBL7264733 0.80 REN (0.45) RENMETAP2METAP1CTSK
SCHEMBL7266286 0.80 REN (0.45) RENMETAP2METAP1CTSK
Hydrochloric Acid SCHEMBL9848324 0.78 REN (0.47) RENMETAP2METAP1
SCHEMBL10585276 0.77 REN (0.47) RENMETAP2METAP1CTSK
SCHEMBL7292886 0.77 REN (0.47) RENMETAP2METAP1CTSK
SCHEMBL5709569 0.77 REN (0.47) RENMETAP2METAP1CTSK
SCHEMBL10583581 0.77 REN (0.47) RENMETAP2METAP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO disclosed