SCHEMBL17658992

SCHEMBL17658992

COCOc1ccc(OCOC)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
S1PR4 O95977 2/20 0.39
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ENPP2 Q13822 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CSNK2A1 P68400 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL15114753 0.84 KDM4E (0.50) MRGPRX4SLC6A4MEN1ALDH1A1KMT2A
SCHEMBL3722908 0.83 HRH3 (0.52) HPGDNPC1RAB9ACYP2C19TDP1
SCHEMBL3720318 0.83 LMNA (0.34) MRGPRX4S1PR4MAPTL3MBTL1RAB9A
SCHEMBL8751797 0.82 HDAC8 (0.46) MAPTCYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL6098978 0.82 ALDH1A1 (0.50) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL6099804 0.82 ALDH1A1 (0.46) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL6099486 0.82 ALDH1A1 (0.50) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL6099784 0.82 ALDH1A1 (0.46) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL4500324 0.81 DRD2 (0.49) MAPTHPGDNPC1RAB9ASLC6A4
SCHEMBL12800776 0.81 MAPT (0.53) MRGPRX4S1PR4MAPTL3MBTL1HPGD

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-2016051799-A1 2-AMINOHYDROQUINONE DERIVATIVE AND TAU AGGREGATION INHIBITOR 学校法人同志社 2016-04-07 WO disclosed