SCHEMBL11546458

SCHEMBL11546458

CCCCCCCCC=CCCCCCCCC(=O)N1CCC(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
GNAI3 P08754 9/20 0.60
GNAI1 P63096 9/20 0.60
GNAO1 P09471 8/20 0.60
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TERT O14746 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL11546455 1.00 NPC1 (0.63) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL3365303 0.91 NPC1 (0.76) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL14879738 0.91 NPC1 (0.76) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL25934640 0.89 NPC1 (0.79) NPC1GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL8637853 0.88 GNAI3 (0.60) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL8641868 0.88 GNAI3 (0.60) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL9016895 0.88 GNAI3 (0.65) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL7063939 0.88 GNAI3 (0.65) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL7063938 0.88 GNAI3 (0.65) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL9016893 0.88 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 5 patents. 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
US-4062841-A MICROBIOCIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-12-13 US disclosed
US-4008137-A FROM 10-UNDECENOYLMORPHOLINE AND A DIALKYL PHOSPHITE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-02-15 US disclosed
US-3996353-A Phosphonated N,N-disubstituted fatty morpholines as bacterial and fungicidal agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-12-07 US disclosed
US-3988226-A BY FREE RADICAL ADDITION OF DIALKYL PHOSPHITES TO THE N,N-DISUBSTITUTED AMIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-10-26 US disclosed