SCHEMBL13359604

SCHEMBL13359604

CC(NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CTSK P43235 4/20 0.53
CYP3A4 P08684 2/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KDM1A O60341 3/20 0.47
MAOA P21397 2/20 0.47
KDM1B Q8NB78 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL11055593 0.89 MEN1 (0.61) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL7627849 0.88 MEN1 (0.61) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL13325463 0.86 MEN1 (0.63) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL13325457 0.85 KMT2A (0.58) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL4089550 0.83 POLB (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9780046 0.81 CA2 (0.60) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL9780071 0.81 CA2 (0.60) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL23604935 0.81 CTSK (0.63) MEN1LMNAKMT2ASMN1; SMN2CTSK
SCHEMBL16215535 0.81 CTSK (0.63) MEN1LMNAKMT2ASMN1; SMN2CTSK
SCHEMBL14664110 0.80 MEN1 (0.53) MEN1LMNAKMT2ANPC1RAB9A

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-7718782-B2 hydroxy fatty acid glycosides; used as surfactants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2010-05-18 US disclosed