SCHEMBL7432302

SCHEMBL7432302

COP(=O)(OC(C)C)C(O)[C@H](CC1CCCCC1)N[C@@H](CC(C)C)C(=O)NC(=O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.49
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MMP3 P08254 3/20 0.45
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
CTSD P07339 1/20 0.43

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
SCHEMBL7433082 0.95 REN (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7431639 0.91 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7431787 0.89 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9574958 0.88 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7432310 0.88 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7427995 0.83 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7433079 0.82 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7433349 0.79 REN (0.42) RENMMP2CTSD
SCHEMBL7431648 0.79 REN (0.58) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7438083 0.79 REN (0.58) RENPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 WO claimed
US-5217958-A Hypotensive agents E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US disclosed
WO-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 WO disclosed
EP-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP disclosed