SCHEMBL7368680

SCHEMBL7368680

CC(C)C(C=O)CC(O)C(N)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.50
METAP2 P50579 6/20 0.39
METAP1 P53582 4/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL9554531 0.85 REN (0.47) RENMETAP2METAP1
SCHEMBL9554528 0.85 REN (0.47) RENMETAP2METAP1
SCHEMBL7292635 0.85 REN (0.47) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL9554876 0.84 REN (0.46) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL9554869 0.84 REN (0.46) RENMETAP2METAP1
SCHEMBL7327540 0.81 REN (0.53) RENMETAP2METAP1CTSK
SCHEMBL7362737 0.80 REN (0.35) RENMETAP2METAP1CTSLCTSB
SCHEMBL8682141 0.79 REN (0.55) RENMETAP2METAP1
SCHEMBL8682444 0.79 REN (0.55) RENMETAP2METAP1
SCHEMBL7279876 0.79 REN (0.55) RENMETAP2METAP1

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 claimed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO claimed