SCHEMBL20198651

SCHEMBL20198651

CCCCCCCCC(C)(CC)CCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DGKA P23743 1/20 0.46
PAM P19021 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
DNM1 Q05193 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL20076474 0.93 DGKA (0.50) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20076183 0.92 MAPT (0.47) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20076483 0.86 CYP1A2 (0.48) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL19645199 0.85 MEN1 (0.47) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20047564 0.85 CA12 (0.45) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL19861519 0.83 DGKA (0.48) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL19861446 0.79 DGKA (0.53) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL19861159 0.79 MEN1 (0.49) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL19861266 0.79 GPR84 (0.54) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL28827193 0.78 CYP1A2 (0.47) MAPTMEN1KMT2AATML3MBTL1

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-2923692-B1 Beta-amino ester compounds and uses thereof LIVING PROOF INC (US) 2018-05-30 EP disclosed