SCHEMBL9755318

SCHEMBL9755318

CCC(C)CNC(=O)C(C(C)C)C(O)C(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.57
▸ CTSD P07339 1/20 0.38
▸ CTSE P14091 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ CTSK P43235 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
SCHEMBL7316741 0.89 REN (0.45) RENCTSDCTSEPSMB5CTSK
SCHEMBL7325297 0.80 REN (0.46) RENCTSDCTSE
SCHEMBL7370152 0.77 REN (0.56) RENCTSDCTSE
SCHEMBL7285659 0.76 REN (0.49) RENCTSDPTPN1
SCHEMBL7285655 0.76 REN (0.49) RENCTSDPTPN1
SCHEMBL10721002 0.75 REN (0.58) REN
SCHEMBL10903164 0.75 REN (0.58) REN
SCHEMBL10720995 0.75 REN (0.58) REN
SCHEMBL10903182 0.75 REN (0.58) REN
SCHEMBL7323845 0.74 REN (0.58) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991006561-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1991-05-16 — — WO claimed
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