SCHEMBL7417399

SCHEMBL7417399

COC[C@H](NC(=O)C(F)(F)C(O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
KLK5 Q9Y337 3/20 0.47
BCL2 P10415 1/20 0.46
PTPN1 P18031 3/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
YAP1 P46937 3/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
LTA4H P09960 1/20 0.42
PPARA Q07869 1/20 0.41
PSMB10 P40306 1/20 0.41

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
SCHEMBL8945614 0.95 REN (0.47) RENKLK5BCL2PTPN1YAP1
SCHEMBL8945512 0.95 REN (0.47) RENKLK5BCL2PTPN1YAP1
SCHEMBL8945503 0.91 REN (0.49) RENKLK5BCL2PTPN1ITGB3
SCHEMBL7421310 0.89 REN (0.49) RENKLK5BCL2PTPN1YAP1
SCHEMBL7418529 0.88 REN (0.47) RENKLK5BCL2PTPN1PPARA
SCHEMBL7421400 0.88 REN (0.45) RENKLK5ITGB3ITGA2BPSEN1
SCHEMBL8361267 0.87 REN (0.49) RENKLK5PSEN1PSEN2APH1B
SCHEMBL8093075 0.86 PPARA (0.48) RENKLK5BCL2PTPN1ITGB3
SCHEMBL7331235 0.86 BCL2 (0.55) RENKLK5BCL2PTPN1ITGB3
SCHEMBL7421085 0.85 LTA4H (0.55) RENLTA4H

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