SCHEMBL7422374

SCHEMBL7422374

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(O)C(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.49
PSMB1 P20618 10/20 0.48
PSMB5 P28074 10/20 0.48
PSMB9 P28065 9/20 0.48
PSMB8 P28062 9/20 0.48
PSMB10 P40306 4/20 0.48
PSMB2 P49721 4/20 0.48
PTPN1 P18031 1/20 0.47
REN P00797 3/20 0.47
HDAC1 Q13547 1/20 0.47
ATM Q13315 1/20 0.46
KLK5 Q9Y337 1/20 0.45

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
SCHEMBL6556306 0.91 ATM (0.54) RENATMKLK5
SCHEMBL6556305 0.91 ATM (0.54) RENATMKLK5
SCHEMBL9081107 0.91 REN (0.49) RENATMKLK5
SCHEMBL9081020 0.90 KLK5 (0.45) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL7331235 0.89 BCL2 (0.55) BCL2PSMB10PTPN1RENKLK5
SCHEMBL8945503 0.86 REN (0.49) BCL2PSMB1PSMB5PSMB9PSMB8
SCHEMBL8093075 0.86 PPARA (0.48) BCL2PTPN1RENATMKLK5
SCHEMBL8736231 0.86 BCL2 (0.49) BCL2PTPN1RENKLK5
SCHEMBL8945614 0.85 REN (0.47) BCL2PTPN1RENKLK5
SCHEMBL8945512 0.85 REN (0.47) BCL2PTPN1RENKLK5

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-0773926-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-05-21 EP disclosed
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed