SCHEMBL21647331

SCHEMBL21647331

C=CCc1cc(-c2ccc(O)c(CC=C)c2-c2ccc(O)c(CC=C)c2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.65
GABRB2 P47870 8/20 0.65
AKR1B1 P15121 2/20 0.62
CNR2 P34972 4/20 0.60
ALOX5 P09917 3/20 0.60
CNR1 P21554 3/20 0.60
POLB P06746 2/20 0.60
MEN1 O00255 2/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
ACE2 Q9BYF1 2/20 0.60
GABRB1 P18505 1/20 0.60
RXRA P19793 1/20 0.60
GABRA5 P31644 1/20 0.60
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
MGAM O43451 3/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL9197925 0.82 AKR1B1 (0.71) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL11037594 0.80 GABRA1 (0.58) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL29892631 0.80 GABRA1 (1.00) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL252293 0.80 GABRA1 (1.00) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL13978626 0.78 GABRA1 (0.82) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL4907630 0.77 AKR1B1 (1.00) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL9311059 0.77 GABRA1 (0.92) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL7784043 0.76 AKR1B1 (0.72) GABRA1GABRB2AKR1B1CNR2ALOX5
Magnatriol B SCHEMBL30058935 0.76 GABRA1 (0.74) GABRA1GABRB2AKR1B1CNR2ALOX5
SCHEMBL11780256 0.76 AKR1B1 (0.41) GABRA1GABRB2AKR1B1CNR2ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020027206-A1 OPTICAL COMPONENT-FORMING COMPOSITION, OPTICAL COMPONENT, COMPOUND, AND RESIN 三菱瓦斯化学株式会社 2020-02-06 WO disclosed
CN-110325501-A Compound, resin, composition, pattern forming method and purification process 三菱瓦斯化学株式会社 2019-10-11 CN disclosed
CN-110198924-A Compound, resin, composition and pattern forming method 三菱瓦斯化学株式会社 2019-09-03 CN disclosed