SCHEMBL13848409

SCHEMBL13848409

COc1cc(OC)c(C(C)C)cc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 3/20 0.43
MITF O75030 1/20 0.43
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL28225279 0.84 PDE10A (0.52) TRPM8SMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL31689354 0.84 SMN1; SMN2 (0.50) TRPM8SMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL16258603 0.78 PDGFRB (0.50) TRPM8SMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL13842542 0.76 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL17051050 0.76 RAB9A (0.47) SMN1; SMN2MAPTL3MBTL1LMNANPC1
SCHEMBL27316536 0.76 P2RX3 (0.53) MAPTHSD17B10GAAPOLBP2RX3
SCHEMBL20150104 0.74 SMN1; SMN2 (0.45) TRPM8SMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL2039527 0.73 SMN1; SMN2 (0.62) SMN1; SMN2MAPTL3MBTL1LMNAKDM4E
SCHEMBL8227726 0.73 KDM4E (0.50) SMN1; SMN2MAPTL3MBTL1LMNAKDM4E
SCHEMBL29496935 0.73 SMN1; SMN2 (0.62) SMN1; SMN2MAPTL3MBTL1LMNAKDM4E

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
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed