SCHEMBL19861404

SCHEMBL19861404

CCCCCCC(C)(CC)CC[C@@H](CO)CC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MAPK1 P28482 1/20 0.34
TLR4 O00206 1/20 0.34
PRKCA P17252 3/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31

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
SCHEMBL19861534 1.00 MEN1 (0.39) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL20076517 0.95 MEN1 (0.40) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL19861353 0.89 LMNA (0.36) LMNACYP4F2CYP4A11GAA
SCHEMBL19861450 0.86 LMNA (0.39) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL20076506 0.86 LMNA (0.39) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL1101306 0.81 LMNA (0.57) MEN1KMT2AMAPTATMLMNA
SCHEMBL19861341 0.79 GAA (0.35) L3MBTL1CYP4F2CYP4A11GAA
SCHEMBL20076321 0.79 GAA (0.35) L3MBTL1CYP4F2CYP4A11GAA
SCHEMBL15183604 0.78 ALDH1A1 (0.39) KMT2AL3MBTL1CYP4F2CYP4A11HTT
SCHEMBL15183610 0.78 ALDH1A1 (0.39) KMT2AL3MBTL1CYP4F2CYP4A11HTT

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
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 US disclosed