SCHEMBL8798973

SCHEMBL8798973

CCOC(=O)C(OCCc1cc(OC)c(OC)c(OC)c1)(C(=O)OCC)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 6/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8800124 0.94 FKBP1A (0.36) FKBP1AALDH1A1KMT2AKDM4EMEN1
SCHEMBL8803294 0.83 MMP8 (0.38) ALDH1A1
SCHEMBL8798970 0.82 FKBP1A (0.38) FKBP1AEDNRBEDNRAALDH1A1KMT2A
SCHEMBL8798264 0.78 TBXAS1 (0.37) FKBP1AALDH1A1
SCHEMBL8799066 0.77 LMNA (0.39) LMNA
SCHEMBL8800118 0.77 FKBP1A (0.37) FKBP1AALDH1A1KMT2AKDM4EMEN1
SCHEMBL8798456 0.77 CYP4F2 (0.32) ALDH1A1
SCHEMBL8800134 0.76 CYP4F2 (0.36) KMT2AMEN1HTR2CMAPT
SCHEMBL8799959 0.76 ALDH1A1 (0.39) ALDH1A1KDM4E
SCHEMBL8329548 0.74 LTA4H (0.41) ALDH1A1KMT2AMAPTLMNA

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