SCHEMBL8800124

SCHEMBL8800124

CCOC(=O)C(OCCCc1cc(OC)c(OC)c(OC)c1)(C(=O)OCC)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.36
TNKS2 Q9H2K2 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL8798973 0.94 FKBP1A (0.37) FKBP1AALDH1A1KMT2AKDM4EMEN1
SCHEMBL8799066 0.84 LMNA (0.39)
SCHEMBL8800118 0.83 FKBP1A (0.37) FKBP1ATNKS2ALDH1A1KMT2AKDM4E
SCHEMBL8800134 0.79 CYP4F2 (0.36) KMT2AMEN1MAPT
SCHEMBL8803294 0.77 MMP8 (0.38) ALDH1A1
SCHEMBL8798970 0.77 FKBP1A (0.38) FKBP1AALDH1A1KMT2AKDM4EMEN1
SCHEMBL8798456 0.75 CYP4F2 (0.32) ALDH1A1
SCHEMBL8800112 0.74 PTPRB (0.39) FKBP1ATNKS2ALDH1A1KMT2AMEN1
SCHEMBL8329548 0.73 LTA4H (0.41) ALDH1A1KMT2AMAPT
SCHEMBL8798264 0.73 TBXAS1 (0.37) FKBP1AALDH1A1

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
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed