SCHEMBL11545587

SCHEMBL11545587

CCCCCCCCCC(CCCCCCCC(=O)N1CCC(C)CC1)C(Cl)(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
GNAI3 P08754 9/20 0.53
GNAI1 P63096 9/20 0.53
GNAO1 P09471 8/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL11545284 0.85 L3MBTL1 (0.67) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL14879738 0.85 NPC1 (0.76) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL3365303 0.85 NPC1 (0.76) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL25934640 0.83 NPC1 (0.79) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL11547174 0.83 ALDH1A1 (0.53) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL20034969 0.79 MEN1 (0.71) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL9062091 0.79 NPC1 (0.81) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL11546455 0.77 NPC1 (0.63) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL11546458 0.77 NPC1 (0.63) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL25123500 0.74 GNAI3 (0.65) GNAI3GNAI1GNAO1L3MBTL1MEN1

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