SCHEMBL11428678

SCHEMBL11428678

CC(C)COc1[c]c([N+](=O)[O-])ccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
MYC P01106 3/20 0.34
MAX P61244 3/20 0.34
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL677491 0.79 SCN4A (0.39) SMN1; SMN2MAPTCYP2D6CYP2C9MEN1
SCHEMBL27493752 0.77 CYP19A1 (0.39) NPC1RAB9AMAPTMAPK1CHRNB2
SCHEMBL4252795 0.76 TDP1 (0.40) SMN1; SMN2MAPTMEN1LMNAHTT
SCHEMBL11241339 0.75 CA12 (0.34) NPC1RAB9AMAPTRECQLCHRNB2
SCHEMBL28657269 0.75 PIN1 (0.42) NPC1RAB9AMAPTMEN1LMNA
SCHEMBL28195096 0.73 SCN4A (0.35) SMN1; SMN2MAPTCYP2D6CYP2C9CYP2C19
SCHEMBL7015864 0.73 TLR4 (0.48) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL11113662 0.72 PRMT5 (0.44) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL29070974 0.72 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL17164316 0.71 SCN4A (0.34) SMN1; SMN2MAPTCYP2D6CYP2C9MEN1

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-4182915-A PHENOL FROM BENZENE BY REACTION OF THALLIUM/III/ METALLATE WITH HYDROXYL DONOR HALCON INTERNATIONAL, INC. (US) 1980-01-08 US disclosed