SCHEMBL11543790

SCHEMBL11543790

CC(CCCCCCCCC(=O)N1CCOCC1)C(Cl)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.49
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
FKBP1A P62942 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.39

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
SCHEMBL8972806 0.83 GLA (0.55) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL5653522 0.83 GLA (0.55) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL11547174 0.82 ALDH1A1 (0.53) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL12580731 0.80 GLA (0.58) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL7694058 0.79 GLA (0.65) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL16604260 0.78 L3MBTL1 (0.54) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL9415751 0.78 GLA (0.67) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL26382336 0.75 GLA (0.57) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL8972298 0.75 L3MBTL1 (0.67) GLARAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL474080 0.75 L3MBTL1 (0.67) GLARAB9AL3MBTL1ALDH1A1LMNA

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-4144256-A FATTY AMIDE SUBSTITUTED WITH ACETYLTHIO GROUP OR GROUPS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1979-03-13 US disclosed