SCHEMBL20124628

SCHEMBL20124628

C=C(OCc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 2/20 0.43
AGXT P21549 2/20 0.42
LMNA P02545 2/20 0.42
P2RX4 Q99571 1/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MMP2 P08253 2/20 0.41
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5367985 0.87 TDP1 (0.59) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL7898715 0.84 KMT2A (0.47) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL7892888 0.83 LTA4H (0.50) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL7900034 0.82 MAOB (0.47) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL7900071 0.79 TSHR (0.58) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL2354687 0.79 KMT2A (0.76) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL7901731 0.79 TSHR (0.50) KMT2ATDP1MAPTSLC6A2SLC6A3
SCHEMBL7901756 0.78 RAB9A (0.55) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL7892811 0.78 ALDH1A1 (0.71) RAB9AKMT2ATDP1MAPTSLC6A2
SCHEMBL7900091 0.77 KMT2A (0.49) RAB9ANPC1KMT2ATDP1MAPT

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
EP-3318617-A1 DEPOSITABLE ION ORGANIC FUNCTION MATERIAL AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE Kunshan Go-Visionox Opto-Electronics Co., Ltd. (CN) 2018-05-09 EP disclosed