SCHEMBL8798970

SCHEMBL8798970

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
AOC3 Q16853 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
SCHEMBL8800118 0.94 FKBP1A (0.37) FKBP1AKMT2AMEN1ALDH1A1HTR2A
SCHEMBL8798973 0.82 FKBP1A (0.37) FKBP1AEDNRBEDNRAKMT2AMEN1
SCHEMBL8803290 0.82 LTA4H (0.46) ALDH1A1
SCHEMBL8798966 0.79 PTPRB (0.40) FKBP1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8798260 0.77 LTA4H (0.38) FKBP1AKMT2AMEN1
SCHEMBL8800124 0.77 FKBP1A (0.36) FKBP1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8799063 0.76 LTA4H (0.45) LMNA
SCHEMBL8331038 0.76 CYP4F2 (0.33) ALDH1A1
SCHEMBL8799950 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EPOLB
SCHEMBL8800131 0.75 CYP4F2 (0.38) KMT2AMEN1HTR2C

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